SCHEMBL7332145

SCHEMBL7332145

CCCCCCOc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)[nH]n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.67
TP53 P04637 1/20 0.64
TSHR P16473 1/20 0.64
PLA2G4B P0C869 9/20 0.62
PLA2G4A P47712 1/20 0.60
PTPN11 Q06124 1/20 0.60
ALPL P05186 2/20 0.57
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP19A1 P11511 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL2351258 1.00 RARB (0.67) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7334165 0.99 RARB (0.64) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL2368000 0.99 RARB (0.64) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL2367633 0.96 RARB (0.60) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL12243198 0.91 ALPL (0.57) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL7329944 0.89 ALPL (0.67) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL2349458 0.89 ALPL (0.67) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL2368455 0.88 ALPL (0.68) RARBTP53TSHRALPLCYP1A2
SCHEMBL12243212 0.87 ALPL (0.60) RARBPLA2G4BALPLCYP1A2CYP2D6
SCHEMBL12243303 0.87 ALPL (0.68) RARBTP53PLA2G4BALPL

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
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
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