SCHEMBL8677553

SCHEMBL8677553

COc1c(C=Cc2ccccc2OCc2ccccc2)cccc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.59
PTGER4 P35408 2/20 0.59
PTGER3 P43115 2/20 0.59
PTGER2 P43116 2/20 0.59
CCNB2 O95067 1/20 0.53
CDK1 P06493 1/20 0.53
CDK4 P11802 1/20 0.53
CCNB1 P14635 1/20 0.53
CCND1 P24385 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
HDAC8 Q9BY41 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
RXRA P19793 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
TRPA1 O75762 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47

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
SCHEMBL8674679 0.86 PTGER4 (0.57) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL23536856 0.85 PTGER1 (0.60) PTGER1NPC1RAB9AMRGPRX4RXRA
SCHEMBL8675797 0.83 PTGER1 (0.63) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8675280 0.80 PTGER1 (0.59) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL5501764 0.80 SCN9A (0.59) PTGER1PTGER4PTGER3PTGER2NPC1
SCHEMBL29502881 0.80 SCN9A (0.59) PTGER1PTGER4PTGER3PTGER2NPC1
SCHEMBL8321345 0.80 PTGER4 (0.55) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8321350 0.80 PTGER4 (0.55) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL8325293 0.80 PTGER4 (0.55) PTGER1PTGER4PTGER3PTGER2CCNB2
SCHEMBL28062171 0.79 CCNB2 (0.66) PTGER1PTGER4PTGER3PTGER2CCNB2

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-5811459-A PAIN RELIEVERS ZENECA LIMITED (GB) 1998-09-22 US disclosed