SCHEMBL11822643

SCHEMBL11822643

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.53
USP5 P45974 1/20 0.49
CYP2C9 P11712 4/20 0.43
CYP2D6 P10635 2/20 0.43
HIF1A Q16665 1/20 0.43
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP26A1 O43174 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
GABBR2 O75899 3/20 0.40
GABBR1 Q9UBS5 3/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL11828647 0.84 FFAR1 (0.60) FFAR1CYP2C9CYP2D6POLBGABBR2
SCHEMBL11829613 0.81 FFAR1 (0.47) FFAR1SMN1; SMN2
SCHEMBL11837418 0.79 POLB (0.49) FFAR1CYP2D6POLBSMN1; SMN2NPC1
SCHEMBL11828611 0.78 MME (0.47) FFAR1
SCHEMBL11332403 0.78 FFAR1 (0.62) FFAR1USP5CYP2C9CYP2D6HIF1A
SCHEMBL11827192 0.76 NPC1 (0.46) FFAR1POLBSMN1; SMN2NPC1KDM4E
SCHEMBL11827910 0.76 FFAR1 (0.50) FFAR1HIF1ASMN1; SMN2KDM4ETDP1
SCHEMBL11835125 0.75 FFAR1 (0.47) FFAR1CYP2C9HIF1ALMNADRD3
SCHEMBL11827794 0.75 ALDH1A1 (0.43) FFAR1MAPK1ALDH1A1
SCHEMBL6965546 0.74 FFAR1 (0.50) FFAR1USP5CYP2C9CYP2D6HIF1A

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-3966801-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1976-06-29 US disclosed