SCHEMBL8515580

SCHEMBL8515580

CC(C)C1C2C=CC(C2)C1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
POLB P06746 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
APEX1 P27695 1/20 0.46
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31534039 1.00 ALDH1A1 (0.53) ALDH1A1POLBTDP1APEX1CYP2C19
SCHEMBL17627708 1.00 ALDH1A1 (0.53) ALDH1A1POLBTDP1APEX1CYP2C19
SCHEMBL10598474 0.81 ALDH1A1 (0.41) ALDH1A1POLBCYP2C19SMN1; SMN2MEN1
SCHEMBL25900881 0.81 POLB (0.48) ALDH1A1POLBTDP1APEX1CYP2C19
SCHEMBL24062391 0.79 POLB (0.70) ALDH1A1POLBTDP1APEX1SMN1; SMN2
SCHEMBL713506 0.79 POLB (0.70) ALDH1A1POLBTDP1APEX1SMN1; SMN2
SCHEMBL20346210 0.79 POLB (0.70) ALDH1A1POLBTDP1APEX1SMN1; SMN2
SCHEMBL381246 0.79 POLB (0.70) ALDH1A1POLBTDP1APEX1SMN1; SMN2
SCHEMBL59471 0.79 POLB (0.70) ALDH1A1POLBTDP1APEX1SMN1; SMN2
SCHEMBL14469601 0.79 POLB (0.70) ALDH1A1POLBTDP1APEX1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230404887-A1 COMPOSITIONS TO LIMIT OR ELIMINATE THE PERCEPTION OF SWEAT MALODOR FIRMENICH SA (CH) 2023-12-21 US claimed
US-20230166230-A1 ENCAPSULATED COMPOSITION COMPRISING CORE-SHELL MICROCAPSULES AND PROCESS FOR ITS PREPARATION GIVAUDAN SA (CH) 2023-06-01 US claimed
EP-4157203-A1 ENCAPSULATED COMPOSITION COMPRISING CORE-SHELL MICROCAPSULES AND PROCESS FOR ITS PREPARATION Givaudan SA (CH) 2023-04-05 EP claimed
US-20230084046-A1 CONSUMER PRODUCT COMPRISING A PLURALITY OF MICROCAPSULES DEFINED BY THE MEAN TOTAL SURFACE AREA GIVAUDAN SA (CH) 2023-03-16 US claimed
EP-4139041-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2023-03-01 EP claimed
EP-4120991-A1 CONSUMER PRODUCT COMPRISING A PLURALITY OF MICROCAPSULES DEFINED BY THE MEAN TOTAL SURFACE AREA Givaudan SA (CH) 2023-01-25 EP claimed
US-11364184-B2 Perfume compositions GIVAUDAN SA (CH) 2022-06-21 US claimed
WO-2021239742-A1 ENCAPSULATED COMPOSITION COMPRISING CORE-SHELL MICROCAPSULES AND PROCESS FOR ITS PREPARATION GIVAUDAN SA (CH) 2021-12-02 WO claimed
WO-2021213930-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2021-10-28 WO claimed
WO-2021185736-A1 CONSUMER PRODUCT COMPRISING A PLURALITY OF MICROCAPSULES DEFINED BY THE MEAN TOTAL SURFACE AREA GIVAUDAN SA (CH) 2021-09-23 WO claimed
EP-1869150-B2 PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2016-08-31 EP claimed
EP-1869150-B1 PERFUME COMPOSITIONS GIVAUDAN NEDERLAND SERVICES BV (NL) 2012-05-30 EP claimed
EP-4504886-A1 FABRIC CARE COMPOSITION Givaudan SA (CH) 2025-02-12 EP disclosed
EP-4396313-A1 ODOUR COUNTERACTION Givaudan SA (CH) 2024-07-10 EP disclosed
WO-2024132966-A1 MICROCAPSULES GIVAUDAN SA (CH) 2024-06-27 WO disclosed
EP-4387763-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2024-06-26 EP disclosed
WO-2016207180-A1 IMPROVEMENTS IN OR RELATING TO ENCAPSULATED PERFUME COMPOSITIONS GIVAUDAN SA (CH) 2016-12-29 WO disclosed
EP-0251370-B1 Cyclohexane-, cyclohexene- and cyclohexadiene, bicyclo[2.2.1]heptane and bicyclo [2.2.1]heptenecarboxylic acid esters, and also perfume compositions and perfumed products which contain one or more of said compounds as perfume component NAARDEN INTERNATIONAL N.V. (NL) 1989-10-25 EP disclosed
US-4843061-A ORGANOLEPTIC NAARDEN INTERNATIONAL N.V. (NL) 1989-06-27 US disclosed
EP-0251370-A1 Cyclohexane-, cyclohexene- and cyclohexadiene, bicyclo[2.2.1]heptane and bicyclo [2.2.1]heptenecarboxylic acid esters, and also perfume compositions and perfumed products which contain one or more of said compounds as perfume component NAARDEN INTERNATIONAL N.V. (NL) 1988-01-07 EP disclosed