SCHEMBL11706018

SCHEMBL11706018

CCC(=O)c1ccc(CC)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.46
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ TRPA1 O75762 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL27584465 0.86 HSP90AB1 (0.43) HSP90AB1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL27670497 0.86 HSP90AB1 (0.43) HSP90AB1RAB9AMAPTSMN1; SMN2NPC1
SCHEMBL7532562 0.83 ALDH1A1 (0.48) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL8204240 0.83 MAPT (0.46) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL27589542 0.83 GABRA1 (0.41) HSP90AB1
SCHEMBL27787720 0.83 HSP90AB1 (0.41) HSP90AB1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL10430333 0.83 PPARA (0.48) HSP90AB1ALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7139165 0.82 PPARA (0.54) ALDH1A1
SCHEMBL28277679 0.81 IKBKB (0.42) RAB9AMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6174178 0.81 HSP90AB1 (0.48) HSP90AB1RAB9AMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101337945-B 4-acetamino-3-(4-arylthiazole-2-amino)benzoate, method for preparing same and applications UNIV HUNAN 2010-08-18 — — CN disclosed
CN-101337945-A 4-acetamino-3-(4-arylthiazole-2-amino)benzoate, method for preparing same and applications UNIV HUNAN (CN) 2009-01-07 — — CN disclosed
CN-1867571-A In situ preparation of chiral derivatives of oxaborolidine-borane complexes, useful in asymmetric reduction reactions of etheroximes or ketones to chiral alcohols or amines PPG SIPSY (FR) 2006-11-22 — — CN disclosed
US-4025558-A SPIRO(CYCLOHEXANE-1,1*(2'H)-NAPHTHALENE); BENZOSPIRAN DERIVATIVES; CNS DEPRESSANTS, LOWERS BLOOD PRESSURE THE UPJOHN COMPANY (US) 1977-05-24 — — US disclosed
US-4010201-A AMINOBENZOSPIRANS, CENTRAL NERVOUS SYSTEM DEPRESSANT, HYPOTENSIVE THE UPJOHN COMPANY (US) 1977-03-01 — — US disclosed
US-3932425-A CNS DEPRESSANT, BLOOD PRESSURE LOWERING THE UPJOHN COMPANY (US) 1976-01-13 — — US disclosed
Send feedback