SCHEMBL11174233

SCHEMBL11174233

Cc1cccc(NCC(C)O)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.50
▸ GAA P10253 3/20 0.50
▸ TP53 P04637 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ CYP2C9 P11712 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ LMNA P02545 4/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ GLA P06280 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAPGEF4 Q8WZA2 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 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
SCHEMBL9463737 0.90 ALDH1A1 (0.39) MAPTGAATP53MAPK1HSD17B10
SCHEMBL17006480 0.85 HTT (0.57) MAPTALDH1A1KMT2AHPGDLMNA
SCHEMBL10601266 0.82 MAPT (0.47) MAPTGAATP53MAPK1HSD17B10
SCHEMBL11171569 0.81 MAPT (0.46) MAPTGAATP53MAPK1HSD17B10
SCHEMBL11169978 0.80 MAPT (0.45) MAPTGAATP53MAPK1HSD17B10
SCHEMBL28876712 0.80 IDO1 (0.44) MAPTTP53ALDH1A1LMNAHTT
SCHEMBL10392041 0.79 ALDH1A1 (0.39) MAPTMAPK1CYP2C9ALDH1A1KMT2A
SCHEMBL11038064 0.78 MAPT (0.57) MAPTGAATP53MAPK1HSD17B10
SCHEMBL11169745 0.77 MAPT (0.43) MAPTGAATP53MAPK1HSD17B10
Hydrochloric Acid SCHEMBL10392835 0.77 ALDH1A1 (0.39) MAPTGAAMAPK1CYP2C9ALDH1A1

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-4369325-A ANTIPHLOGISTIC AND DIURETIC ACTIVITY EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1983-01-18 — — US disclosed
US-4284642-A DIURETICS, ANTIPHLOGISTICS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1981-08-18 — — US disclosed
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