SCHEMBL6851858

SCHEMBL6851858

CCCCCCCCCCCCCOc1cccc(C2=C3C=CC(=N3)C(c3cccc(OCCCCCCCCCCCCC)c3)=C3C=CC(=N3)C(c3cccc(OCCCCCCCCCCCCC)c3)=C3C=CC(=N3)C(c3ccc(OCCCCCCCCCCCCCCCCO)cc3)=C3C=CC2=N3)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4B P0C869 3/20 0.42
▸ TSHR P16473 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP19A1 P11511 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PTPN11 Q06124 2/20 0.40
▸ RARB P10826 3/20 0.39
▸ NR5A1 Q13285 1/20 0.39
▸ SMPD1 P17405 3/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ HTR1B P28222 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR2B P41595 1/20 0.38

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
SCHEMBL6851411 1.00 PLA2G4B (0.42) PLA2G4BTSHRCYP1A2CYP19A1CYP2C9
SCHEMBL6851528 1.00 PLA2G4B (0.42) PLA2G4BTSHRCYP1A2CYP19A1CYP2C9
SCHEMBL6847491 0.90 NR5A1 (0.42) PLA2G4BTSHRSMN1; SMN2PTPN11RARB
SCHEMBL6851825 0.90 NR5A1 (0.42) PLA2G4BTSHRSMN1; SMN2PTPN11RARB
SCHEMBL6847400 0.90 NR5A1 (0.42) PLA2G4BTSHRSMN1; SMN2PTPN11RARB
SCHEMBL6850146 0.90 NR5A1 (0.42) PLA2G4BTSHRSMN1; SMN2PTPN11RARB
SCHEMBL584885 0.90 TSHR (0.50) PLA2G4BTSHRCYP1A2CYP19A1CYP2C9
SCHEMBL6847323 0.88 PLA2G4B (0.44) PLA2G4BTSHRCYP1A2CYP19A1CYP2C9
SCHEMBL6851875 0.88 PLA2G4B (0.44) PLA2G4BTSHRCYP1A2CYP19A1CYP2C9
SCHEMBL6851520 0.88 PLA2G4B (0.44) PLA2G4BTSHRCYP1A2CYP19A1CYP2C9

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-1107971-B1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM DESTINY PHARMA LTD (GB) 2004-11-24 — — EP disclosed
US-6630128-B1 Insoluble support DESTINY PHARMA LIMITED (GB) 2003-10-07 — — US disclosed
EP-1107971-A1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM Destiny Pharma Limited (GB) 2001-06-20 — — EP disclosed
WO-2000012512-A1 PORPHYRIN DERIVATIVES, THEIR USE IN PHOTODYNAMIC THERAPY AND MEDICAL DEVICES CONTAINING THEM DESTINY PHARMA LIMITED (GB) 2000-03-09 — — WO disclosed
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