SCHEMBL8601461

SCHEMBL8601461

CCCCCCCCCCCCCCNC(=O)Nc1ccc(O)cc1C

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.58
EPHX1 P07099 10/20 0.57
ALDH1A1 P00352 2/20 0.57
HTT P42858 1/20 0.57
GLA P06280 1/20 0.54
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
HPGD P15428 1/20 0.54
NAAA Q02083 1/20 0.53
POLB P06746 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL8602428 1.00 EPHX2 (0.58) EPHX2EPHX1ALDH1A1HTTGLA
SCHEMBL8601081 1.00 EPHX2 (0.58) EPHX2EPHX1ALDH1A1HTTGLA
SCHEMBL8603519 1.00 EPHX2 (0.58) EPHX2EPHX1ALDH1A1HTTGLA
SCHEMBL8598214 1.00 EPHX2 (0.58) EPHX2EPHX1ALDH1A1HTTGLA
SCHEMBL4352883 0.99 EPHX2 (0.56) EPHX2EPHX1ALDH1A1HTTGLA
SCHEMBL4341280 0.86 EPHX2 (0.57) EPHX2EPHX1ALDH1A1HTTNAAA
SCHEMBL14557524 0.84 NAAA (0.62) EPHX2EPHX1ALDH1A1HTTNAAA
SCHEMBL24894217 0.83 KMT2A (0.45) EPHX2EPHX1ALDH1A1HTTGLA
SCHEMBL17079630 0.81 KMT2A (0.70) EPHX2EPHX1ALDH1A1HTTPOLB
SCHEMBL28784043 0.81 POLB (0.56) EPHX2EPHX1ALDH1A1HTTMAPT

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-0709225-B1 Reversible multi-color thermal recording medium JUJO PAPER CO LTD (JP) 1998-08-05 EP disclosed
US-5710094-A HEAT RESISTANT ORGANIC UREA OR THIOUREA COLOR DEVELOPER NIPPON PAPER INDUSTRIES CO. LTD. (JP) 1998-01-20 US disclosed
EP-0709225-A1 Reversible multi-color thermal recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1996-05-01 EP disclosed