SCHEMBL9763548

SCHEMBL9763548

COCCN(CCOC)c1cc(C)ccc1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL14228293 0.85 CRHR1 (0.47) CRHR1ALDH1A1KDM4EHPGD
SCHEMBL10111222 0.79 CRHR1 (0.41) CRHR1ALDH1A1
SCHEMBL13343452 0.76 ALDH1A1 (0.43) CRHR1ALDH1A1MEN1TP53KMT2A
SCHEMBL29381565 0.76 CRHR1 (0.42) CRHR1MEN1KMT2A
SCHEMBL27410101 0.75 CRHR1 (0.41) CRHR1ALDH1A1
SCHEMBL27496394 0.75 CRHR1 (0.40) CRHR1ALDH1A1KDM4ETP53SMN1; SMN2
SCHEMBL10348155 0.74 ALDH1A1 (0.42) CRHR1ALDH1A1KDM4ETP53HTT
SCHEMBL11797024 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMEN1TP53
SCHEMBL7794555 0.72 CYP2C19 (0.44) CRHR1ALDH1A1HPGDHTTLMNA
SCHEMBL10898445 0.72 HPGD (0.42) ALDH1A1KDM4EHPGDMEN1TP53

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-4997918-A Benzthiazolium azo dyes CIBA-GEIGY CORPORATION (US) 1991-03-05 US disclosed
EP-0105031-A2 Cationic azo dyestuffs CIBA-GEIGY AG (CH) 1984-04-04 EP disclosed