SCHEMBL7703848

SCHEMBL7703848

O=C(NC(Cc1cccc(OCc2ccccc2)c1)C(=O)OCc1ccccc1)c1ccc(O)c(O)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 7/20 0.63
ACE P12821 2/20 0.53
CMKLR2 P46091 1/20 0.52
CMKLR1 Q99788 1/20 0.52
SMPD1 P17405 2/20 0.50
TACR1 P25103 1/20 0.49
LNPEP Q9UIQ6 2/20 0.48
PTPN1 P18031 2/20 0.48
MME P08473 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
HPGDS O60760 1/20 0.48
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
ERAP2 Q6P179 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 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
SCHEMBL7553966 0.91 GPR132 (0.58) GPR132ACECMKLR2CMKLR1LNPEP
SCHEMBL7511099 0.89 ACE (0.64) GPR132ACETACR1LNPEPHPGDS
SCHEMBL7523142 0.80 ACE (0.50) GPR132ACETACR1LNPEPHPGDS
SCHEMBL1123158 0.80 GPR132 (0.77) GPR132CMKLR2CMKLR1SMPD1LNPEP
SCHEMBL14617723 0.79 MME (0.56) GPR132ACESMPD1TACR1PTPN1
SCHEMBL1123379 0.78 GPR132 (0.95) GPR132CMKLR2CMKLR1SMPD1PTPN1
SCHEMBL1123382 0.78 GAA (0.71) GPR132CMKLR2CMKLR1LNPEPPTPN1
SCHEMBL7709601 0.78 LNPEP (0.50) GPR132ACETACR1LNPEPERAP2
SCHEMBL7709356 0.78 ACE (0.50) ACELNPEPMMEHPGDSERAP2
SCHEMBL7709445 0.77 ACE (0.70) GPR132ACETACR1LNPEPPTPN1

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-6362165-B1 Hydroxyphenyl derivatives with HIV integrase inhibitory properties PHARMACOR INC. (CA) 2002-03-26 US disclosed