SCHEMBL23512481

SCHEMBL23512481

CCc1ccc(-c2ccc(CCC(=O)OC(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.47
▸ CYP4A11 Q02928 2/20 0.47
▸ MAPT P10636 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ PDCD1 Q15116 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ FAAH O00519 1/20 0.39

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
SCHEMBL25146548 0.86 FFAR1 (0.45) CYP4F2CYP4A11MAPTTSHRLMNA
SCHEMBL13823861 0.83 MAPT (0.51) MAPTTSHRTDP1MGLLPDCD1
SCHEMBL23512353 0.81 HSD17B10 (0.54) CYP4F2CYP4A11MAPTTSHRLMNA
SCHEMBL4420191 0.81 CA12 (0.50) CYP4F2CYP4A11MAPTTSHRLMNA
SCHEMBL19024861 0.81 L3MBTL1 (0.59) CYP4F2CYP4A11MAPTTSHRLMNA
SCHEMBL23287934 0.80 IDO1 (0.47) CYP4F2CYP4A11MAPTTSHRLMNA
SCHEMBL9350223 0.80 CYP4F2 (0.46) CYP4F2CYP4A11TSHRLMNAALDH1A1
SCHEMBL22652835 0.80 CYP4F2 (0.46) CYP4F2CYP4A11MAPTTSHRLMNA
SCHEMBL10020494 0.80 FKBP1A (0.52) CYP4F2CYP4A11MAPTTSHRLMNA
SCHEMBL23512483 0.80 CYP4F2 (0.70) CYP4F2CYP4A11TDP1FFAR1HRH3

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-2021119249-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2021-06-17 — — WO disclosed
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