SCHEMBL23729016

SCHEMBL23729016

CC(C)(C)CC(C)(C(=O)O)C(C)(C)C(C)(C)C(c1ccc(O)cc1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
BLM P54132 1/20 0.37
CYP2C9 P11712 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ESR1 P03372 7/20 0.34
ESR2 Q92731 5/20 0.34
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CHRM1 P11229 1/20 0.33
ALOX15 P16050 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33

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
SCHEMBL809279 0.73 ESR1 (0.44) BLMCYP2C9HSD17B10ESR1ESR2
SCHEMBL301927 0.72 ESR1 (0.52) BLMCYP2C9HSD17B10ESR1ESR2
SCHEMBL14014347 0.68 ESR1 (0.48) BLMCYP2C9ESR1ESR2CYP3A4
SCHEMBL3355077 0.67 CYP2C9 (0.45) BLMCYP2C9HSD17B10ESR1ESR2
SCHEMBL26621253 0.67 CYP2C9 (0.45) BLMCYP2C9HSD17B10ESR1ESR2
SCHEMBL28390790 0.66 CYP2C9 (0.41) BLMCYP2C9HSD17B10ESR1ESR2
SCHEMBL12058539 0.66 SHBG (0.38) SHBGCYP2C9ESR1ESR2CYP3A4
SCHEMBL10339282 0.65 ESR1 (0.50) BLMCYP2C9ESR1ESR2CYP3A4
SCHEMBL4630315 0.64 SRC (0.46) BLMCYP2C9HSD17B10ESR1ESR2
SCHEMBL16682784 0.64 SRC (0.46) BLMCYP2C9HSD17B10ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210240079-A1 PHOTORESIST COMPOSITION, PHOTOLITHOGRAPHY METHOD USING THE SAME, AND METHOD OF MANUFACTURING SEMICONDUCTOR DEVICE USING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-08-05 US disclosed