SCHEMBL2774750

SCHEMBL2774750

O=COC(=O)CCCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
HDAC1 Q13547 4/20 0.52
HDAC2 Q92769 2/20 0.52
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
ALOX5 P09917 3/20 0.51
FAAH O00519 3/20 0.50
CES1 P23141 3/20 0.50

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
SCHEMBL6511591 0.98 MAPT (0.61) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL27608422 0.95 HDAC1 (0.58) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL28174460 0.88 FFAR1 (0.56) MAPTRXFP1MGLLPLAAT3PLAAT5
SCHEMBL14952781 0.87 TDP1 (0.63) MAPTHDAC1HDAC2HDAC3MAPK1
SCHEMBL11418333 0.87 MAPT (0.59) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL11119017 0.87 MAPT (0.59) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL27428759 0.86 TDP1 (0.61) MAPTHDAC1HDAC2HDAC3MAPK1
SCHEMBL194741 0.83 HDAC1 (0.56) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL6957940 0.82 MAPT (0.61) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL7651575 0.82 MAPT (0.66) MAPTRXFP1HDAC1HDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634503-B1 MALODOR REDUCTION IN AIR CARE APPLICATIONS AGILEX FLAVORS & FRAGRANCES INC (US) 2024-01-10 EP claimed
WO-2022128057-A1 MEDICAMENT FOR PREVENTION AND TREATMENT OF COLLAGEN DEGRADATION IN HUMAN CONNECTING TISSUE SYMRISE AG (DE) 2022-06-23 WO claimed
US-20210402035-A1 MALODOR REDUCTION IN AIR CARE APPLICATIONS Agilex Flavors and Fragrances, Inc. 2021-12-30 US claimed
EP-3634503-A1 MALODOR REDUCTION IN AIR CARE APPLICATIONS Agilex Flavors & fragrances, Inc. (US) 2020-04-15 EP claimed
WO-2018213551-A1 MALODOR REDUCTION IN AIR CARE APPLICATIONS AGILEX FLAVORS & FRAGRANCES, INC. (US) 2018-11-22 WO claimed
EP-3634503-B1 MALODOR REDUCTION IN AIR CARE APPLICATIONS AGILEX FLAVORS & FRAGRANCES INC (US) 2024-01-10 EP disclosed
US-11771793-B2 Malodor reduction in air care applications Agilex Flavors and Fragrances, Inc. (US) 2023-10-03 US disclosed
WO-2022128057-A1 MEDICAMENT FOR PREVENTION AND TREATMENT OF COLLAGEN DEGRADATION IN HUMAN CONNECTING TISSUE SYMRISE AG (DE) 2022-06-23 WO disclosed
US-20210402035-A1 MALODOR REDUCTION IN AIR CARE APPLICATIONS Agilex Flavors and Fragrances, Inc. 2021-12-30 US disclosed
EP-3634503-A1 MALODOR REDUCTION IN AIR CARE APPLICATIONS Agilex Flavors & fragrances, Inc. (US) 2020-04-15 EP disclosed
WO-2018213551-A1 MALODOR REDUCTION IN AIR CARE APPLICATIONS AGILEX FLAVORS & FRAGRANCES, INC. (US) 2018-11-22 WO disclosed
EP-2226063-B1 High intensity fragrances TAKASAGO PERFUMERY CO LTD (JP) 2013-04-10 EP disclosed
EP-2226063-A2 High intensity fragrances Takasago International Corporation (JP) 2010-09-08 EP disclosed