SCHEMBL3813330

SCHEMBL3813330

CCCCCC(CCC)CC(C)(CC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
HSPD1 P10809 1/20 0.45
BLM P54132 1/20 0.45
HSPE1 P61604 1/20 0.45
GPR84 Q9NQS5 7/20 0.39
FFAR1 O14842 2/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MMP2 P08253 4/20 0.37
MMP3 P08254 4/20 0.37
MMP1 P03956 2/20 0.37
MMP7 P09237 1/20 0.37

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
SCHEMBL3749181 0.94 HSPD1 (0.49) CYP2D6TSHRCYP2C19HIF1AHSPD1
SCHEMBL27478171 0.85 GPR84 (0.42) HSPD1BLMHSPE1GPR84FFAR1
SCHEMBL29269986 0.84 ACACB (0.41) HSPD1BLMHSPE1GPR84FFAR1
SCHEMBL28611965 0.84 ACACB (0.41) HSPD1BLMHSPE1GPR84FFAR1
SCHEMBL22129719 0.84 ACACB (0.41) HSPD1BLMHSPE1GPR84FFAR1
SCHEMBL29270067 0.84 ACACB (0.41) HSPD1BLMHSPE1GPR84FFAR1
SCHEMBL28610200 0.84 ACACB (0.41) HSPD1BLMHSPE1GPR84FFAR1
SCHEMBL28597975 0.84 ACACB (0.41) HSPD1BLMHSPE1GPR84FFAR1
SCHEMBL29270020 0.84 ACACB (0.41) HSPD1BLMHSPE1GPR84FFAR1
SCHEMBL15577120 0.82 HSPD1 (0.46) HSPD1BLMHSPE1GPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9314413-B2 Cosmetic compositions containing esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2016-04-19 US disclosed
US-9314414-B2 Cosmetic compositions containing esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2016-04-19 US disclosed
US-20140121286-A1 Cosmetic Compositions Containing Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-05-01 US disclosed
US-20140121394-A1 Cosmetic Compositions Containing Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-05-01 US disclosed
US-8642652-B2 Cosmetic compositions containing esters based on 2-propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2014-02-04 US disclosed
US-20090182046-A1 Cosmetic Compositions Containing Esters Based on 2-Propylheptanol COGNIS IP MANAGEMENT GMBH (DE) 2009-07-16 US disclosed