SCHEMBL8523619

SCHEMBL8523619

CCCCCSc1nnc(C)s1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.64
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
LMNA P02545 1/20 0.45
GRIN2B Q13224 1/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40

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
SCHEMBL28508900 0.98 ALDH1A1 (0.67) ALDH1A1GAAL3MBTL1MAPTPKM
SCHEMBL12110047 0.98 ALDH1A1 (0.67) ALDH1A1GAAL3MBTL1MAPTPKM
SCHEMBL425172 0.94 ALDH1A1 (0.56) ALDH1A1GAAL3MBTL1MAPTPKM
SCHEMBL10797452 0.88 ALDH1A1 (0.72) ALDH1A1GAAL3MBTL1MAPTNPC1
SCHEMBL28887982 0.86 ALDH1A1 (0.76) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL7797173 0.86 ALDH1A1 (0.76) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL11423947 0.86 ALDH1A1 (0.76) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL12232725 0.86 GAA (0.53) ALDH1A1GAAL3MBTL1MAPTPKM
SCHEMBL2772386 0.86 ALDH1A1 (0.76) ALDH1A1L3MBTL1MAPTNPC1RAB9A
SCHEMBL31213183 0.81 ALDH1A1 (0.44) ALDH1A1GAAL3MBTL1MAPTPKM

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-5872111-A TOILET BAR SOAP, FACIAL BODY CLEANSER, SHAMPOO, CONDITIONER, COSMETIC,SHAVING CREAM OR LOTION, SHOWER GEL, FABRIC SOFTENING CONDITIONER, AND UNDERARM DEODORANT/ANTI-PERSPIRANT LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1999-02-16 US disclosed
US-5521293-A Heteroatom containing alkyl aldonamide compounds as superior foaming, more soluble nonionic surfactants and a process for their manufacture LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-05-28 US disclosed