SCHEMBL9861237

SCHEMBL9861237

C=Cc1ccc(OC(=O)c2ccccc2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.57
▸ HSD17B10 Q99714 10/20 0.57
▸ KDM4E B2RXH2 5/20 0.57
▸ HPGD P15428 4/20 0.57
▸ GLA P06280 2/20 0.57
▸ TSHR P16473 3/20 0.53
▸ CFTR P13569 1/20 0.49
▸ ALOX15 P16050 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ MAPT P10636 6/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41

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
SCHEMBL9861291 0.87 HSD17B10 (0.71) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL29330984 0.83 HPGD (0.49) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL9472028 0.83 HPGD (0.67) ALDH1A1HSD17B10KDM4EHPGDTSHR
SCHEMBL6430896 0.82 ALDH1A1 (0.65) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL444509 0.81 HSD17B10 (0.64) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL29331006 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL25063288 0.79 HSD17B10 (0.61) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL4249090 0.79 HSD17B10 (0.61) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL25063269 0.79 HSD17B10 (0.61) ALDH1A1HSD17B10KDM4EHPGDGLA
SCHEMBL4246573 0.79 ALDH1A1 (0.66) ALDH1A1HSD17B10KDM4EHPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462060-A2 Curable composition CIBA-GEIGY AG (CH) 1991-12-18 — — EP disclosed
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