SCHEMBL17644438

SCHEMBL17644438

CC(=O)Nc1cc(O)c2ccc3cccc4ccc1c2c34

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.69
▸ KDM4E B2RXH2 4/20 0.69
▸ HPGD P15428 3/20 0.69
▸ MAPT P10636 2/20 0.69
▸ CASP6 P55212 1/20 0.49
▸ HSD17B1 P14061 2/20 0.45
▸ HSD17B2 P37059 2/20 0.45
▸ POLB P06746 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HDAC1 Q13547 2/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39

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
SCHEMBL5054452 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDMAPTCASP6
SCHEMBL29581351 0.82 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDMAPTCASP6
SCHEMBL8333925 0.81 ALDH1A1 (0.97) ALDH1A1KDM4EHPGDMAPTCASP6
SCHEMBL8333926 0.81 ALDH1A1 (0.97) ALDH1A1KDM4EHPGDMAPTCASP6
SCHEMBL29440260 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMAPTAPOBEC3G
SCHEMBL13736031 0.76 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMAPTAPOBEC3G
SCHEMBL29104759 0.74 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPTAPOBEC3G
SCHEMBL3513570 0.74 MAPT (0.57) ALDH1A1KDM4EHPGDMAPTCASP6
SCHEMBL11921499 0.73 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMAPTCASP6
SCHEMBL2164932 0.72 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDMAPTHSD17B1

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
EP-2417102-B1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LTD (GB) 2016-04-06 — — EP claimed
EP-2417102-B1 FLUOROPHORE AND FLUORESCENT SENSOR COMPOUND CONTAINING SAME LIGHTSHIP MEDICAL LTD (GB) 2016-04-06 — — EP disclosed
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