SCHEMBL9718211

SCHEMBL9718211

O=C(O)/C=C/c1ccccc1C[C@H]1[C@@H](C(=O)O)[C@@H]2CC[C@H]1O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 8/20 0.44
PTGER2 P43116 7/20 0.44
PTGER4 P35408 5/20 0.44
PTGDR Q13258 5/20 0.43
TBXA2R P21731 4/20 0.43
PTGFR P43088 3/20 0.43
PTGIR P43119 2/20 0.43
PTGER1 P34995 2/20 0.43
TFPI2 P48307 5/20 0.40
NFKB1 P19838 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
TBXAS1 P24557 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GMNN O75496 1/20 0.38
PMP22 Q01453 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL9201397 0.76 TBXA2R (0.55) TBXA2R
SCHEMBL10437533 0.76 TBXA2R (0.55) TBXA2R
SCHEMBL9718969 0.74 PTGER3 (0.36) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL1774349 0.73 PTGER3 (0.52) PTGER3PTGER2PTGER4PTGDRTBXA2R
SCHEMBL9197070 0.73 TBXA2R (0.57) TBXA2RTFPI2TBXAS1LMNAKDM4E
SCHEMBL249465 0.73 LMNA (0.40) TFPI2LMNAKDM4ETP53ALDH1A1
SCHEMBL8870983 0.71 TBXA2R (0.47) TBXA2R
SCHEMBL8988219 0.71 TBXA2R (0.47) TBXA2R
SCHEMBL8870972 0.71 TBXA2R (0.47) TBXA2R
SCHEMBL6685158 0.71 HPGD (0.47) PTGER3PTGER2PTGER4PTGDRTBXA2R

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-5153327-A 7-Oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E. R. SQUIBB & SONS, INC. (US) 1992-10-06 US disclosed