SCHEMBL9824239

SCHEMBL9824239

Cc1ccc(NCC(F)(F)F)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44

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
SCHEMBL453843 0.79 IL1B (0.43) ALDH1A1MEN1CYP3A4KMT2AMAPT
SCHEMBL9823768 0.78 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL95129 0.78 ALDH1A1 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29428385 0.78 ALDH1A1 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11990845 0.78 ALDH1A1 (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3962037 0.77 ALDH1A1 (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9795817 0.76 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11637154 0.76 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9189930 0.75 IL1B (0.43) ALDH1A1MEN1KMT2AHSD17B2MAPT
Bromide SCHEMBL7741413 0.75 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
EP-0269914-B1 COMPOSITION AND PROCESS FOR THE OXIDATIVE DYEING OF HAIR ON THE BASIS OF 3-(2',2',2'-TRIFLUORETHYL)AMINOPHENOL DERIVATIVES, AND 3-(2',2',2'-TRIFLUORETHYL)AMINOPHENOL DERIVATIVES Wella Aktiengesellschaft (DE) 1991-06-12 EP claimed
US-4923479-A HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 1990-05-08 US claimed
WO-1988004166-A1 HAIR DYEING OXIDISING AGENT AND PROCESS WITH 3-(2',2',2'-TRIFLUOROETHYL)AMINO-PHENOL DERIVATES AND NEW 3-(2',2',2'-TRIFLUOROETHYL)AMINO-PHENOL DERIVATES WELLA AKTIENGESELLSCHAFT (DE) 1988-06-16 WO claimed
EP-0269914-B1 COMPOSITION AND PROCESS FOR THE OXIDATIVE DYEING OF HAIR ON THE BASIS OF 3-(2',2',2'-TRIFLUORETHYL)AMINOPHENOL DERIVATIVES, AND 3-(2',2',2'-TRIFLUORETHYL)AMINOPHENOL DERIVATIVES Wella Aktiengesellschaft (DE) 1991-06-12 EP disclosed
US-4923479-A HAIR DYES WELLA AKTIENGESELLSCHAFT (DE) 1990-05-08 US disclosed
WO-1988004166-A1 HAIR DYEING OXIDISING AGENT AND PROCESS WITH 3-(2',2',2'-TRIFLUOROETHYL)AMINO-PHENOL DERIVATES AND NEW 3-(2',2',2'-TRIFLUOROETHYL)AMINO-PHENOL DERIVATES WELLA AKTIENGESELLSCHAFT (DE) 1988-06-16 WO disclosed