SCHEMBL6851875

SCHEMBL6851875

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4B P0C869 4/20 0.44
▸ PTPN11 Q06124 2/20 0.41
▸ RARB P10826 3/20 0.41
▸ SMPD1 P17405 3/20 0.41
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ P2RY12 Q9H244 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL6847323 1.00 PLA2G4B (0.44) PLA2G4BPTPN11RARBSMPD1PDE3B
SCHEMBL6851520 1.00 PLA2G4B (0.44) PLA2G4BPTPN11RARBSMPD1PDE3B
SCHEMBL6847498 0.91 RARB (0.44) PLA2G4BPTPN11RARBPDE3BPDE3A
SCHEMBL6851385 0.91 RARB (0.44) PLA2G4BPTPN11RARBPDE3BPDE3A
SCHEMBL6850260 0.91 RARB (0.44) PLA2G4BPTPN11RARBPDE3BPDE3A
SCHEMBL6851857 0.91 RARB (0.44) PLA2G4BPTPN11RARBPDE3BPDE3A
SCHEMBL6851411 0.88 PLA2G4B (0.42) PLA2G4BPTPN11RARBSMPD1CYP1A2
SCHEMBL6851528 0.88 PLA2G4B (0.42) PLA2G4BPTPN11RARBSMPD1CYP1A2
SCHEMBL6851858 0.88 PLA2G4B (0.42) PLA2G4BPTPN11RARBSMPD1CYP1A2
SCHEMBL584885 0.86 TSHR (0.50) PLA2G4BPTPN11SMPD1CYP1A2CYP19A1

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 2 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
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