SCHEMBL804638

SCHEMBL804638

C=CCc1cc(C(C)(C)c2ccc(OC(C)=O)c(CC=C)c2)ccc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.59
PTGS1 P23219 1/20 0.56
ELANE P08246 1/20 0.48
GABRA1 P14867 4/20 0.43
GABRB2 P47870 4/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
PTPN1 P18031 4/20 0.43
CNR2 P34972 2/20 0.43
TSHR P16473 1/20 0.43
JUN P05412 1/20 0.42
NFKB1 P19838 1/20 0.42
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SRD5A1 P18405 1/20 0.40
AKR1C3 P42330 1/20 0.40

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
SCHEMBL12674534 0.95 ALOX5 (0.57) ALOX5PTGS1ELANEGABRA1GABRB2
SCHEMBL29710717 0.95 ALOX5 (0.57) ALOX5PTGS1ELANEGABRA1GABRB2
SCHEMBL22421389 0.90 ALOX5 (0.51) ALOX5PTGS1ELANEGABRA1GABRB2
SCHEMBL26119063 0.89 ALOX5 (0.52) ALOX5PTGS1ELANEGABRA1GABRB2
SCHEMBL22197873 0.89 ALOX5 (0.52) ALOX5PTGS1ELANETSHRMEN1
SCHEMBL238989 0.88 GABRA1 (0.52) ALOX5PTGS1GABRA1GABRB2GABRA5
SCHEMBL14048479 0.86 ALOX5 (0.50) ALOX5PTGS1ELANEGABRA1GABRB2
SCHEMBL12438742 0.85 TSHR (0.44) ALOX5PTGS1TSHRJUNNFKB1
SCHEMBL9186206 0.84 ELANE (0.47) ALOX5PTGS1ELANEGABRA1GABRB2
SCHEMBL11071323 0.83 ELANE (0.48) ALOX5PTGS1ELANEPTPN1MEN1

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
US-8426532-B2 Polycarbonate graft copolymers SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2013-04-23 US disclosed
US-20120071606-A1 POLYCARBONATE GRAFT COPOLYMERS SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2012-03-22 US disclosed