SCHEMBL7331983

SCHEMBL7331983

CCCCCCCCOc1ccc(N2CCN(c3ccc(C(=O)O)cn3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.59
TP53 P04637 1/20 0.59
PLA2G4B P0C869 6/20 0.57
THRA P10827 1/20 0.57
THRB P10828 1/20 0.57
RARB P10826 3/20 0.55
PLA2G4A P47712 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PLA2G2A P14555 3/20 0.52
ME2 P23368 1/20 0.50
ME1 P48163 1/20 0.50
ME3 Q16798 1/20 0.50

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
SCHEMBL7333300 1.00 TSHR (0.59) TSHRTP53PLA2G4BTHRATHRB
SCHEMBL7615805 0.91 KMT2A (0.55) TSHRTP53PLA2G4BTHRATHRB
SCHEMBL7342988 0.89 KMT2A (0.65) TSHRTP53PLA2G4BTHRATHRB
SCHEMBL7333979 0.89 KMT2A (0.65) TSHRTP53PLA2G4BTHRATHRB
SCHEMBL7339141 0.88 TSHR (0.76) TSHRTP53PLA2G4BTHRATHRB
Hydrochloric Acid SCHEMBL6539254 0.87 TSHR (0.74) TSHRTP53PLA2G4BTHRATHRB
Hydrochloric Acid SCHEMBL7334829 0.87 TSHR (0.74) TSHRTP53PLA2G4BTHRATHRB
Hydrochloric Acid SCHEMBL7330237 0.87 TSHR (0.74) TSHRTP53PLA2G4BTHRATHRB
SCHEMBL5186756 0.87 TSHR (0.73) TSHRTP53PLA2G4BTHRATHRB
Hydrochloric Acid SCHEMBL7332274 0.86 TSHR (0.71) TSHRTP53PLA2G4BTHRATHRB

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