SCHEMBL3740917

SCHEMBL3740917

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 1/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
CPT2 P23786 2/20 0.33
ACLY P53396 1/20 0.33
HSPD1 P10809 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
FFAR3 O14843 1/20 0.32
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL44319 0.85 CA2 (0.47) TSHRALDH1A1HSPD1BLMHSPE1
SCHEMBL2802518 0.84 CA2 (0.46) TSHRALDH1A1HSPD1BLMHSPE1
Ammonia Solution, Strong SCHEMBL16192514 0.84 CA2 (0.46) TSHRALDH1A1HSPD1BLMHSPE1
Ammonia Solution, Strong SCHEMBL16192510 0.84 CA2 (0.46) TSHRALDH1A1HSPD1BLMHSPE1
SCHEMBL18210874 0.83 CYP2D6 (0.33) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL14672450 0.81 TSHR (0.38) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL3740926 0.79 ALDH1A1 (0.42) TSHRALDH1A1FFAR3FFAR1TDP1
SCHEMBL430002 0.77 HSPD1 (0.51) HSPD1BLMHSPE1FFAR1
SCHEMBL537136 0.77 CYP2D6 (0.42) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL3745275 0.77 CYP2C19 (0.60) CYP2D6TSHRCYP2C19HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110036068-A Concentrate composition 巴塞尔聚烯烃意大利有限公司 2019-07-19 CN disclosed
CN-108219295-A Polypropene composition, polypropylene film-making material and its manufacturing method and secondary forming body 富比食品包装有限公司 2018-06-29 CN disclosed
US-9079850-B2 Cosmetic compositions containing esters of 2-ethylbutanol COGNIS IP MANAGEMENT GMBH (DE) 2015-07-14 US disclosed
US-20100292328-A1 Cosmetic Compositions Containing Esters of 2-ethylbutanol COGNIS IP MANAGEMENT GMBH (DE) 2010-11-18 US disclosed