SCHEMBL30460652

SCHEMBL30460652

CC1CCC(C(C)C)C(C(C)(O)C(=O)O)C1.CC1CCC(C(C)C)C(OC(=O)C(C)O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
ALDH1A1 P00352 8/20 0.44
HPGD P15428 2/20 0.44
CYP19A1 P11511 2/20 0.43
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 1/20 0.38

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
Lactic Acid SCHEMBL31239678 0.85 EPHX1 (0.43) EPHX1ALDH1A1HPGD
SCHEMBL12522387 0.84 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL15291348 0.84 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL7636456 0.84 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL471089 0.84 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL23196361 0.84 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL112084 0.84 EPHX1 (0.47) EPHX1ALDH1A1HPGD
SCHEMBL12449339 0.84 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL320044 0.84 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1MAPT
SCHEMBL12449351 0.84 EPHX1 (0.57) EPHX1ALDH1A1HPGDCYP19A1MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695016-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS Givaudan SA (CH) 2026-02-18 EP disclosed
CN-119161927-A Composition for contact lens and method for maintaining contact lens 晶硕光学股份有限公司 2024-12-20 CN disclosed
WO-2024213507-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2024-10-17 WO disclosed
CN-118591305-A Capsule for aerosol-generating article comprising cooling block and aerosol-generating article comprising same 韩国烟草人参公社 2024-09-03 CN disclosed
CN-118591303-A Flavored sheet comprising cooling block, filter, wrapper and aerosol-generating article comprising same 韩国烟草人参公社 2024-09-03 CN disclosed
CN-118541041-A Cooling mass comprising cooling agent and aerosol-generating article comprising same 韩国烟草人参公社 2024-08-23 CN disclosed
WO-2024101244-A1 CONTAINER SET, SHEET CONTAINER, AND WET SHEET ユニ・チャーム株式会社 2024-05-16 WO disclosed
CN-111479548-B Oral composition 狮王株式会社 2023-06-16 CN disclosed