SCHEMBL9633958

SCHEMBL9633958

CCCCCCC(C)C(=O)CP(=O)(OC)OC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.46
CA1 P00915 2/20 0.46
SMPD1 P17405 3/20 0.42
ACE2 Q9BYF1 1/20 0.42
ZDHHC7 Q9NXF8 1/20 0.41
PLA2G2A P14555 1/20 0.40
LAP3 P28838 1/20 0.40
CA2 P00918 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
FFAR1 O14842 1/20 0.39
GPR84 Q9NQS5 2/20 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
SCHEMBL10727216 0.98 CA1 (0.47) FDPSCA1SMPD1ACE2ZDHHC7
SCHEMBL11720011 0.98 CA1 (0.47) FDPSCA1SMPD1ACE2ZDHHC7
SCHEMBL11316721 0.93 FDPS (0.42) FDPSCA1SMPD1PLA2G2ACA2
SCHEMBL11315637 0.93 FDPS (0.42) FDPSCA1SMPD1PLA2G2ACA2
SCHEMBL7941316 0.93 FDPS (0.42) FDPSCA1SMPD1PLA2G2ACA2
SCHEMBL11851600 0.86 FDPS (0.39) FDPSCA1CA2
SCHEMBL11863469 0.83 MAPT (0.53) FDPSSMPD1ZDHHC7PLA2G2ALAP3
SCHEMBL9160566 0.81 MAPT (0.50) FDPSSMPD1ZDHHC7PLA2G2ALAP3
SCHEMBL11460321 0.79
SCHEMBL12951695 0.78 MMP1 (0.35) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0276124-B1 PROSTAGLANDIN DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC USE Sankyo Company Limited (JP) 1992-05-20 EP disclosed
US-4981872-A ANTIULCER SANKYO COMPANY LIMITED (JP) 1991-01-01 US disclosed
US-3987072-A CIS-4,5-Didehydro-15- or 16-alkylated 11-deoxy-PGE1 analogs THE UPJOHN COMPANY (US) 1976-10-19 US disclosed