SCHEMBL7329944

SCHEMBL7329944

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.67
NPC1 O15118 3/20 0.54
RAB9A P51151 2/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP19A1 P11511 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RARB P10826 3/20 0.51
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
PLA2G2A P14555 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
LMNA P02545 1/20 0.47
PLA2G4B P0C869 3/20 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
SCHEMBL2349458 1.00 ALPL (0.67) ALPLNPC1RAB9ACYP1A2CYP2D6
SCHEMBL2368455 0.99 ALPL (0.68) ALPLNPC1RAB9ACYP1A2CYP2D6
SCHEMBL2353593 0.97 ALPL (0.71) ALPLNPC1RAB9ACYP1A2CYP2D6
SCHEMBL12243198 0.89 ALPL (0.57) ALPLNPC1RAB9ACYP1A2CYP2D6
SCHEMBL2351258 0.89 RARB (0.67) ALPLCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL7332145 0.89 RARB (0.67) ALPLCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL2368000 0.88 RARB (0.64) ALPLCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL7334165 0.88 RARB (0.64) ALPLCYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL12243302 0.88 NPC1 (0.70) ALPLNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2367633 0.85 RARB (0.60) ALPLNPC1RAB9ACYP1A2CYP2D6

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