SCHEMBL10636092

SCHEMBL10636092

CC#CCC(C)[C@H](O)/C=C\[C@H]1[C@H]2C/C(=C/CCCC(=O)OCC)C[C@H]2C[C@H]1O

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.80
PTGER3 P43115 2/20 0.80
PTGER2 P43116 2/20 0.80
PTGER1 P34995 1/20 0.80
PTGDR Q13258 1/20 0.80
PPARD Q03181 2/20 0.53
PPARA Q07869 2/20 0.53
PPARG P37231 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 2/20 0.37
TBXA2R P21731 10/20 0.36
PTGER4 P35408 2/20 0.34
KDM4E B2RXH2 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SAE1 Q9UBE0 1/20 0.31
UBA2 Q9UBT2 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL10345587 1.00 PTGIR (0.80) PTGIRPTGER3PTGER2PTGER1PTGDR
SCHEMBL12951549 0.93 PTGIR (0.80) PTGIRPTGER3PTGER2PTGER1PTGDR
SCHEMBL13386481 0.93 PTGIR (0.80) PTGIRPTGER3PTGER2PTGER1PTGDR
SCHEMBL13386479 0.93 PTGIR (0.80) PTGIRPTGER3PTGER2PTGER1PTGDR
SCHEMBL13386610 0.93 PTGER3 (0.74) PTGIRPTGER3PTGER2PTGER1PTGDR
SCHEMBL13386609 0.93 PTGER3 (0.74) PTGIRPTGER3PTGER2PTGER1PTGDR
SCHEMBL13386611 0.93 PTGER3 (0.74) PTGIRPTGER3PTGER2PTGER1PTGDR
SCHEMBL13386606 0.93 PTGER3 (0.74) PTGIRPTGER3PTGER2PTGER1PTGDR
SCHEMBL21509152 0.92 PTGIR (0.82) PTGIRPTGER3PTGER2PTGER1PTGDR
SCHEMBL21973569 0.92 PTGIR (0.82) PTGIRPTGER3PTGER2PTGER1PTGDR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4774341-A CARBOXYLIC ACIDS OR ESTER DERIVATIVES, ANTICOAGULANTS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1988-09-27 US disclosed
US-4644068-A INTERMEDIATES FOR PG; ANTICOAGULANTS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-02-17 US disclosed
US-4632997-A HYDROGENATION WITH GROUP VIB METAL CARBONYL COMPLEX CATALYST; STEREOSPECIFIC SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-12-30 US disclosed
EP-0153822-A1 Method for preparing cis-bicyclo(3.3.0)octylidene derivative SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-09-04 EP disclosed
EP-0134153-A2 Bicyclo[3.3.0]octane derivative and preparation thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1985-03-13 EP disclosed