SCHEMBL9470508

SCHEMBL9470508

COCCC(C(=O)O)C(=O)OC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.43
KMT2A Q03164 1/20 0.41
PPARG P37231 6/20 0.40
PPARA Q07869 6/20 0.40
CYP1A2 P05177 2/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
MMP8 P22894 1/20 0.39
SRR Q9GZT4 1/20 0.39
EPHX1 P07099 1/20 0.39
ACP3 P15309 1/20 0.39
LDHA P00338 1/20 0.39

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
SCHEMBL11347968 0.81 PPARG (0.42) CHRM1KMT2APPARGPPARACYP1A2
SCHEMBL11704440 0.80 CTSB (0.46) CYP1A2
SCHEMBL1484444 0.76 CPA1 (0.46) CHRM1PPARGPPARACYP1A2SRR
SCHEMBL3206845 0.75 CYP1A2 (0.46) CHRM1KMT2ACYP1A2CYP2D6SRR
SCHEMBL15899458 0.74 HPGD (0.46) CHRM1KMT2AHPGDTSHR
SCHEMBL29740764 0.74 PABPC1 (0.54) CHRM1KMT2ACYP1A2TSHRSRR
SCHEMBL29740763 0.74 PABPC1 (0.54) CHRM1KMT2ACYP1A2TSHRSRR
Bicarbonate SCHEMBL28105724 0.74 EPHX1 (0.49) CHRM1KMT2APPARGPPARACYP1A2
SCHEMBL27695662 0.74 CYP1A2 (0.49) PPARGPPARACYP1A2MMP8SRR
SCHEMBL9067637 0.73 EPHX1 (0.52) CHRM1CYP1A2CYP2D6SRREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5192800-A Hypotensive agents PFIZER INC. (US) 1993-03-09 US disclosed
EP-0274234-B1 SPIRO-SUBSITUTED GLUTARAMIDE DIURETIC AGENTS Pfizer Limited (GB) 1991-09-11 EP disclosed
US-5030654-A Glutaramide diuretic agents PFIZER INC. (US) 1991-07-09 US disclosed
EP-0274234-A2 Spiro-subsituted glutaramide diuretic agents Pfizer Limited (GB) 1988-07-13 EP disclosed