SCHEMBL29324959

SCHEMBL29324959

Cc1ccc(C(=O)OC(C)(C)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TDP1 Q9NUW8 3/20 0.48
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 1/20 0.46
ALDH1A1 P00352 5/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 1/20 0.44
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKR1C3 P42330 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL25779634 0.87 CYP2C19 (0.43) NPC1RAB9ATDP1CES1CYP2C19
SCHEMBL25561426 0.83 ALDH1A1 (0.50) NPC1RAB9ATDP1CYP2C19HIF1A
SCHEMBL25780248 0.82 CYP2C19 (0.42) RAB9ATDP1CES1CYP2C19HIF1A
SCHEMBL11988598 0.81 CYP2C19 (0.41) NPC1RAB9ATDP1CYP2C19HIF1A
SCHEMBL24985033 0.80 TDP1 (0.42) NPC1RAB9ATDP1ALDH1A1KMT2A
SCHEMBL19317234 0.79 CYP2C19 (0.39) TDP1CES2CES1CYP2C19HIF1A
SCHEMBL165629 0.79 CYP2C19 (0.39) RAB9ATDP1CES1CYP2C19HIF1A
SCHEMBL28700661 0.78 ALDH1A1 (0.52) TDP1CES1CYP2C19HIF1AALDH1A1
SCHEMBL14062636 0.78 CYP17A1 (0.48) NPC1RAB9ATDP1CYP2C19HIF1A
SCHEMBL318720 0.77 TDP1 (0.59) NPC1RAB9ATDP1CES2CES1

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-20240241440-A1 POLYMER, PHOTORESIST COMPOSITIONS INCLUDING THE SAME, AND PATTERN FORMATION METHODS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2024-07-18 US disclosed