SCHEMBL9760513

SCHEMBL9760513

CC#CCC(C)[C@H](O)C=C[C@H]1[C@H](O)CC(=O)[C@@H]1CC(=O)CCCCC(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 10/20 0.47
▸ PTGER2 P43116 6/20 0.47
▸ PTGER3 P43115 3/20 0.47
▸ PTGER1 P34995 2/20 0.47
▸ PTGDR Q13258 1/20 0.47
▸ LMNA P02545 2/20 0.41
▸ ABCC4 O15439 2/20 0.41
▸ PGR P06401 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ABCB11 O95342 1/20 0.41
▸ PTGER4 P35408 4/20 0.40
▸ TSHR P16473 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL4447237 0.90 PTGIR (0.57) PTGIRPTGER2PTGER3PTGER1PTGDR
SCHEMBL11379928 0.85 LMNA (0.49) PTGIRPTGER2PTGER3PTGER1LMNA
SCHEMBL31055788 0.79 PTGIR (0.62) PTGIRPTGER2PTGER3PTGER1PTGDR
SCHEMBL4448944 0.79 PTGIR (0.62) PTGIRPTGER2PTGER3PTGER1PTGDR
SCHEMBL20815456 0.79 PTGIR (0.62) PTGIRPTGER2PTGER3PTGER1PTGDR
SCHEMBL4093287 0.79 PTGIR (0.62) PTGIRPTGER2PTGER3PTGER1PTGDR
SCHEMBL11459358 0.79 PTGIR (0.62) PTGIRPTGER2PTGER3PTGER1PTGDR
SCHEMBL11380702 0.78 PTGIR (0.63) PTGIRPTGER2PTGER3PTGER1LMNA
SCHEMBL11379011 0.78 PTGIR (0.49) PTGIRPTGER2PTGER3PTGER1LMNA
SCHEMBL20815454 0.77 PTGIR (0.54) PTGIRPTGER2PTGER3PTGER1PTGDR

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-5023273-A Antiagglomerants, hypotensive agents, bronchodilators SCHERING AKTIENGESELLSCHAFT (DE) 1991-06-11 — — US disclosed
Send feedback