SCHEMBL27363023

SCHEMBL27363023

Cc1cccc(C)c1C1CC1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.50
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AR P10275 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NR4A2 P43354 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
HDAC4 P56524 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
SCHEMBL2960964 0.85 FFAR1 (0.43) FFAR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2968880 0.83 L3MBTL1 (0.43) FFAR1ALDH1A1KDM4EHPGDPOLB
SCHEMBL3419095 0.80 HTR2C (0.49) FFAR1ARPOLBRAB9ATDP1
SCHEMBL14892502 0.79 FFAR1 (0.52) FFAR1ARNR4A2RXRARXRB
SCHEMBL3423257 0.79 FFAR1 (0.52) FFAR1ARNR4A2RXRARXRB
SCHEMBL3421675 0.78 FFAR1 (0.45) FFAR1ALDH1A1KDM4EHPGDAR
SCHEMBL15938458 0.77 FFAR1 (0.45) FFAR1ALDH1A1POLBNR4A2RXRA
SCHEMBL2957757 0.75 FFAR1 (0.43) FFAR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24845309 0.73 FFAR1 (0.50) FFAR1ALDH1A1CYP2C9
SCHEMBL3042239 0.73 FFAR1 (0.65) FFAR1ALDH1A1HDAC4

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
WO-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed