SCHEMBL9296304

SCHEMBL9296304

COC(=O)Cc1ccc(Oc2ccccc2C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
ATM Q13315 1/20 0.65
LPAR1 Q92633 5/20 0.52
LPAR5 Q9H1C0 5/20 0.52
ALDH1A1 P00352 1/20 0.51
MAPK14 Q16539 1/20 0.51
MAPK1 P28482 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
ESR1 P03372 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
VDR P11473 1/20 0.46
RXRA P19793 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
ESR2 Q92731 1/20 0.46
LTA4H P09960 1/20 0.46

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
SCHEMBL11323814 0.82 ATM (0.48) L3MBTL1TDP1ATMALDH1A1CYP4F2
SCHEMBL3192546 0.82 SRD5A2 (0.58) ALDH1A1MAPK14CYP4F2CYP4A11LTA4H
SCHEMBL6242055 0.81 NCOA1 (0.51) L3MBTL1TDP1ATMALDH1A1CYP4F2
SCHEMBL27305578 0.81 ALDH1A1 (0.48) L3MBTL1TDP1ATMALDH1A1CYP4F2
SCHEMBL26637232 0.80 KMT2A (0.49) L3MBTL1TDP1ATMALDH1A1CYP4F2
SCHEMBL30657386 0.80 KMT2A (0.49) L3MBTL1TDP1ATMALDH1A1CYP4F2
SCHEMBL5204961 0.79 L3MBTL1 (0.51) L3MBTL1TDP1ATMALDH1A1MAPK1
SCHEMBL1745415 0.79 FFAR1 (0.64) MAPK1VDRRXRAFFAR1SMN1; SMN2
SCHEMBL18301312 0.78 TDP1 (0.59) L3MBTL1TDP1ATMALDH1A1MAPK1
SCHEMBL7558146 0.78 KMT2A (0.56) L3MBTL1TDP1ALDH1A1CYP4F2CYP4A11

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-5286894-A Phenyl acrylic acid derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-15 US disclosed