SCHEMBL10697874

SCHEMBL10697874

C=CCc1cc(C(C)Cc2ccc(CC(C)c3ccc(O)c(CC=C)c3)cc2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 10/20 0.51
GABRB2 P47870 10/20 0.51
CNR2 P34972 3/20 0.49
ALOX5 P09917 3/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
CNR1 P21554 2/20 0.49
KMT2A Q03164 2/20 0.49
GABRB1 P18505 1/20 0.49
RXRA P19793 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
SIRT3 Q9NTG7 1/20 0.49
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
XDH P47989 2/20 0.45

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
SCHEMBL30876823 0.95 GABRA1 (0.50) GABRA1GABRB2CNR2ALOX5POLB
SCHEMBL8655463 0.93 GABRA1 (0.47) GABRA1GABRB2CNR2ALOX5POLB
SCHEMBL5176699 0.90 GABRA1 (0.47) GABRA1GABRB2CNR2ALOX5POLB
SCHEMBL9816379 0.82 GABRA1 (0.59) GABRA1GABRB2CNR2ALOX5POLB
SCHEMBL457817 0.82 GABRA1 (0.59) GABRA1GABRB2CNR2ALOX5POLB
SCHEMBL29386569 0.82 GABRA1 (0.59) GABRA1GABRB2CNR2ALOX5POLB
SCHEMBL8419815 0.79 POLB (0.50) GABRA1GABRB2CNR2ALOX5POLB
SCHEMBL19104737 0.79 GABRA1 (0.63) GABRA1GABRB2CNR2ALOX5POLB
SCHEMBL19104733 0.77 GABRA1 (0.61) GABRA1GABRB2CNR2ALOX5POLB
SCHEMBL30002831 0.76 GABRA1 (0.56) GABRA1GABRB2CNR2ALOX5POLB

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
EP-0276737-A2 Thermocurable moulding compounds BASF Aktiengesellschaft (DE) 1988-08-03 EP disclosed