SCHEMBL8377643

SCHEMBL8377643

CC(C)COc1ccc(C=CC(=O)O)cc1.O=C(O)C=Cc1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 3/20 0.48
PARP10 Q53GL7 3/20 0.48
FFAR1 O14842 1/20 0.47
MMP3 P08254 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
RARB P10826 1/20 0.45
THRB P10828 1/20 0.45
ATM Q13315 1/20 0.45
HPGD P15428 2/20 0.45
GPR88 Q9GZN0 1/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR35 Q9HC97 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
ADAM17 P78536 1/20 0.43

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
SCHEMBL154421 0.90 PARP10 (0.57) PARP15PARP10FFAR1RARBTHRB
SCHEMBL9636658 0.90 PARP10 (0.57) PARP15PARP10FFAR1RARBTHRB
SCHEMBL3692639 0.85 THRB (0.60) AKR1C3THRBATMNPC1POLB
SCHEMBL157926 0.85 THRB (0.60) AKR1C3THRBATMNPC1POLB
SCHEMBL3357904 0.80 HPGD (0.54) PARP15PARP10THRBATMHPGD
SCHEMBL3361322 0.80 THRB (0.51) PARP15PARP10THRBATMHPGD
SCHEMBL3357907 0.80 HPGD (0.54) PARP15PARP10THRBATMHPGD
SCHEMBL3361329 0.80 THRB (0.51) PARP15PARP10THRBATMHPGD
SCHEMBL10426427 0.79 PARP15 (0.53) PARP15PARP10FFAR1MMP3HPGD
SCHEMBL9734423 0.79 PARP10 (0.53) PARP15PARP10FFAR1HPGDMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901512-A1 DETERGENT COMPOSITION UNILEVER PLC (GB) 1999-03-17 EP disclosed
WO-1997044422-A1 DETERGENT COMPOSITION UNILEVER PLC (GB) 1997-11-27 WO disclosed