SCHEMBL9446178

SCHEMBL9446178

CCCN(c1cccc(C)c1)C(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
NPC1 O15118 2/20 0.43
PAX8 Q06710 2/20 0.43
GPX4 P36969 1/20 0.43
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
MAPT P10636 3/20 0.38
HSD17B1 P14061 2/20 0.37
HSD17B2 P37059 2/20 0.37
CETP P11597 1/20 0.36
GLA P06280 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL11785353 0.90 TP53 (0.47) ALDH1A1RAB9ATP53NPC1PAX8
SCHEMBL11786816 0.88 GPX4 (0.54) ALDH1A1RAB9ATP53NPC1PAX8
SCHEMBL19129471 0.86 TP53 (0.42) ALDH1A1RAB9ATP53NPC1PAX8
SCHEMBL1802310 0.86 TP53 (0.45) ALDH1A1RAB9ATP53NPC1PAX8
SCHEMBL10909573 0.85 TP53 (0.44) ALDH1A1RAB9ATP53NPC1PAX8
SCHEMBL10661624 0.81 TAAR1 (0.49) ALDH1A1RAB9ANPC1PAX8SLC6A2
SCHEMBL11694481 0.78 TP53 (0.41) ALDH1A1RAB9ATP53NPC1PAX8
SCHEMBL10658926 0.78 RAB9A (0.52) ALDH1A1RAB9ATP53NPC1PAX8
SCHEMBL11880892 0.76 TP53 (0.44) ALDH1A1RAB9ATP53NPC1PAX8
SCHEMBL11748273 0.75 TP53 (0.42) ALDH1A1RAB9ATP53NPC1PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250420-A Using an electron carrier TOYO BOSEKI KABUSHIKI KAISHA (JP) 1993-10-05 US disclosed
EP-0285998-B1 METHOD AND REAGENT FOR DETERMINATION OF DEHYDROGENASE OR ITS SUBSTRATE TOYO BOSEKI KABUSHIKI KAISHA (JP) 1993-08-04 EP disclosed
EP-0285998-A2 Method and reagent for determination of dehydrogenase or its substrate TOYO BOSEKI KABUSHIKI KAISHA (JP) 1988-10-12 EP disclosed
US-4251629-A COLORIMETRY, USING 4-AMINOANTIPYRENE, N-SUBSTITUTED ANILINE, ACTIVATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1981-02-17 US disclosed
US-4208502-A Curable resin compositions CELANESE CORPORATION (US) 1980-06-17 US disclosed
US-4098918-A METHOD OF POLYMERIZING NON-LINEAR URETHANE DIACRYLATES USING RADIATION PPG INDUSTRIES, INC. (US) 1978-07-04 US disclosed
US-4064286-A RESISTANCE TO COLOR BLEACHING, CHALKING, IMPROVED GLOSS RETENTION PPG INDUSTRIES, INC. (US) 1977-12-20 US disclosed
US-4017649-A Radiation-sensitive compounds and methods of using same PPG INDUSTRIES, INC. (US) 1977-04-12 US disclosed
US-3988272-A FROM ETHYLENICALLY UNSATURATED COMPOUNDS WITH N-HYDROXYALKYL AND PHENYL-SUBSTITUTED AMINE, COBALT SALTS AND PEROXY FREE RADICAL CATALYSTS ASHLAND OIL, INC. (US) 1976-10-26 US disclosed
US-3979426-A Radiation-sensitive diacrylates PPG INDUSTRIES, INC. (US) 1976-09-07 US disclosed
US-3950287-A CURING, AMINES, FREE RADICAL CATALYSTS ASHLAND OIL, INC. (US) 1976-04-13 US disclosed