SCHEMBL9225445

SCHEMBL9225445

CCCc1cc[nH]c1C=O.CCCc1cc[nH]c1C=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
ELANE P08246 1/20 0.31
HTR2A P28223 1/20 0.31
PRKCI P41743 1/20 0.30

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
SCHEMBL7086196 0.87 GPR84 (0.45) GPR84HIF1AEPAS1
SCHEMBL28740087 0.85 GPR84 (0.47) GPR84HIF1AEPAS1
SCHEMBL4688286 0.82 GPR84 (0.31) GPR84
SCHEMBL7613712 0.80 CHEK1 (0.37)
SCHEMBL1491968 0.75
SCHEMBL9625138 0.74 PRKCI (0.43) GPR84ELANEPRKCI
SCHEMBL29851040 0.72 RAB9A (0.38) GPR84ELANE
SCHEMBL10538542 0.72 GPR84 (0.34) GPR84PRKCI
SCHEMBL28117526 0.70 GPR84 (0.37) GPR84ELANE
SCHEMBL27763230 0.70 GPR84 (0.33) GPR84

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591355-A4 PORPHYCENE COMPOUNDS FOR PHOTODYNAMIC THERAPY. CYTOPHARM INC (US) 1995-01-18 EP disclosed
EP-0591355-A1 PORPHYCENE COMPOUNDS FOR PHOTODYNAMIC THERAPY CYTOPHARM, INC. (US) 1994-04-13 EP disclosed
WO-1993000087-A1 PORPHYCENE COMPOUNDS FOR PHOTODYNAMIC THERAPY CYTOPHARM, INC. (US) 1993-01-07 WO disclosed