SCHEMBL6851825

SCHEMBL6851825

CCCCCCCCCCOc1cc(OCCCCCCCCCC)cc(C2=C3C=CC(=N3)C(c3cc(OCCCCCCCCCC)cc(OCCCCCCCCCC)c3)=C3C=CC(=N3)C(c3cc(OCCCCCCCCCC)cc(OCCCCCCCCCC)c3)=C3C=CC(=N3)C(c3ccc(OCCCCCCCCCCCCO)cc3)=C3C=CC2=N3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR5A1 Q13285 1/20 0.42
▸ RARB P10826 3/20 0.41
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ PLA2G2A P14555 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PTPN11 Q06124 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PLA2G4B P0C869 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 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
SCHEMBL6847491 1.00 NR5A1 (0.42) NR5A1RARBHTR2AHTR2CHTR1B
SCHEMBL6847400 1.00 NR5A1 (0.42) NR5A1RARBHTR2AHTR2CHTR1B
SCHEMBL6850146 1.00 NR5A1 (0.42) NR5A1RARBHTR2AHTR2CHTR1B
SCHEMBL6850360 0.90 RARB (0.39) NR5A1RARBHTR2AHTR2CHTR1B
SCHEMBL6847301 0.90 RARB (0.39) NR5A1RARBHTR2AHTR2CHTR1B
SCHEMBL6851567 0.90 RARB (0.39) NR5A1RARBHTR2AHTR2CHTR1B
SCHEMBL6850426 0.90 RARB (0.39) NR5A1RARBHTR2AHTR2CHTR1B
SCHEMBL6851458 0.90 RARB (0.39) NR5A1RARBHTR2AHTR2CHTR1B
SCHEMBL6851858 0.90 PLA2G4B (0.42) NR5A1RARBHTR2AHTR2CHTR1B
SCHEMBL6851411 0.90 PLA2G4B (0.42) NR5A1RARBHTR2AHTR2CHTR1B

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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