SCHEMBL5713611

SCHEMBL5713611

COc1cc(C)c(CNc2ccc(C)c(O)c2)cc1C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.72
ALDH1A1 P00352 5/20 0.72
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
GAA P10253 4/20 0.72
KDM4E B2RXH2 4/20 0.72
CASP1 P29466 2/20 0.72
HSD17B10 Q99714 2/20 0.72
GLA P06280 1/20 0.72
SMN1; SMN2 Q16637 2/20 0.62
TUBB4A P04350 2/20 0.61
TUBB P07437 2/20 0.61
TUBA3C P0DPH7 2/20 0.61
TUBA1B P68363 2/20 0.61
TUBA4A P68366 2/20 0.61
TUBB4B P68371 2/20 0.61
TUBB3 Q13509 2/20 0.61
TUBB2A Q13885 2/20 0.61
TUBB8 Q3ZCM7 2/20 0.61
TUBA3E Q6PEY2 2/20 0.61

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
SCHEMBL5713675 0.84 TUBB4A (0.63) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL5713573 0.83 TUBB4A (0.61) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL5713734 0.82 TUBB4A (0.64) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL5714226 0.81 MAPT (0.60) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL5713549 0.81 ALDH1A1 (0.71) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL5713660 0.80 TUBB4A (0.69) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL5713617 0.80 TUBB4A (0.64) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL5713779 0.80 TUBB4A (0.64) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL7156336 0.77 TUBB4A (0.97) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL5713558 0.77 CA1 (0.64) MAPTKMT2AGAATUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1251822-A4 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P & G CLAIROL INC (US) 2006-05-31 EP disclosed
US-6540793-B1 Coupler for use in oxidative hair dyeing CLAIROL INCORPORATED 2003-04-01 US disclosed
EP-1251822-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING Clairol Incorporated (US) 2002-10-30 EP disclosed
WO-2001056538-A1 NOVEL COUPLER FOR USE IN OXIDATIVE HAIR DYEING P&G-CLAIROL, INC. (US) 2001-08-09 WO disclosed