SCHEMBL2313987

SCHEMBL2313987

OCCc1ccc2ccc(CCO)c3c4cccc5cccc(c1c23)c54

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
CYP1A1 P04798 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HTR2A P28223 3/20 0.35
HSP90AA1 P07900 1/20 0.35
HNF4A P41235 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KDM4E B2RXH2 2/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL2312283 0.94 ALDH1A1 (0.48) CYP1A2ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2314747 0.94 ALDH1A1 (0.46) CYP1A2ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL31229303 0.89 ALDH1A1 (0.57) CYP1A2ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2310217 0.87 KMT2A (0.44) CYP1A2ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2315939 0.86 ALDH1A1 (0.52) CYP1A2ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2307308 0.86 KMT2A (0.50) CYP1A2ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2308433 0.86 KMT2A (0.50) CYP1A2ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2313073 0.85 CYP1A2 (0.40) CYP1A2ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2311140 0.83 CYP1A2 (0.39) CYP1A2ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL2306875 0.83 CYP1A2 (0.39) CYP1A2ALDH1A1HPGDHSD17B10KMT2A

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
US-7989517-B2 Actinic ray curable composition, actinic ray curable ink, and image formation process employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-08-02 US disclosed
US-20070123600-A1 ACTINIC RAY CURABLE COMPOSITION, ACTINIC RAY CURABLE INK, AND IMAGE FORMATION PROCESS EMPLOYING THE SAME KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-05-31 US disclosed