SCHEMBL7403884

SCHEMBL7403884

CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)on2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.64
TP53 P04637 1/20 0.61
TSHR P16473 1/20 0.61
SMPD1 P17405 1/20 0.61
PLA2G4B P0C869 6/20 0.60
PTPN11 Q06124 1/20 0.58
CXCR1 P25024 2/20 0.57
CYP1A2 P05177 1/20 0.56
CYP19A1 P11511 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
PLA2G4A P47712 1/20 0.55
ABCB1 P08183 1/20 0.54
ABCC1 P33527 1/20 0.54

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
SCHEMBL2353533 1.00 RARB (0.64) RARBTP53TSHRSMPD1PLA2G4B
SCHEMBL12243285 0.99 RARB (0.67) RARBTP53TSHRSMPD1PLA2G4B
Ammonia Solution, Strong SCHEMBL17822400 0.99 RARB (0.63) RARBTP53TSHRSMPD1PLA2G4B
SCHEMBL2353001 0.99 RARB (0.67) RARBTP53TSHRSMPD1PLA2G4B
SCHEMBL2354881 0.99 RARB (0.67) RARBTP53TSHRSMPD1PLA2G4B
SCHEMBL5148937 0.99 RARB (0.63) RARBTP53TSHRSMPD1PLA2G4B
SCHEMBL2354038 0.98 SMPD1 (0.63) RARBTP53TSHRSMPD1PLA2G4B
SCHEMBL903875 0.91 SMPD1 (0.61) RARBTP53TSHRSMPD1CXCR1
SCHEMBL12243188 0.90 SMPD1 (0.60) RARBTP53TSHRSMPD1PLA2G4B
SCHEMBL6132946 0.90 CXCR1 (0.56) RARBTP53TSHRSMPD1PLA2G4B

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
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed