SCHEMBL7147954

SCHEMBL7147954

[CH]=CC(C)(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALOX15 P16050 1/20 0.41
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
CYP3A4 P08684 1/20 0.39
KCNN4 O15554 4/20 0.39
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP2B6 P20813 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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
SCHEMBL27598238 0.79 MAPK1 (0.44) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL9454788 0.79 TSHR (0.48) MAPK1ALDH1A1ALOX15MAPTKMT2A
SCHEMBL22361948 0.76 MAPK1 (0.46) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL8671152 0.75 ALDH1A1 (0.43) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL9454477 0.75 RAB9A (0.37) MAPK1ALDH1A1KCNN4MAPTKMT2A
SCHEMBL9083147 0.75 MEN1 (0.50) MAPK1KMT2ATSHRCYP2C19HIF1A
SCHEMBL9848783 0.74 ALDH1A1 (0.46) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL737574 0.74 MAPK1 (0.44) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL18404121 0.74 MAPK1 (0.44) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL27546959 0.74 MAPK1 (0.44) MAPK1ALDH1A1TAAR1ALOX15ESR1

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-1343862-A1 FABRIC CARE COMPOSITIONS UNILEVER PLC (GB) 2003-09-17 EP disclosed
WO-2002051972-A1 FABRIC CARE COMPOSITIONS UNILEVER PLC (GB) 2002-07-04 WO disclosed
EP-0798267-A1 Organoclay compositions manufactured with organic acid ester-derived quaternary ammonium compounds, their preparation and non-aqueous fluid systems containing such compositions RHEOX INTERNATIONAL, INC. (US) 1997-10-01 EP disclosed
US-5234946-A Anticholesterol, antilipemic BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US disclosed
EP-0318860-B1 SUBSTITUTED ALKYLAMINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 EP disclosed
EP-0318860-A2 Substituted alkylamine derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-06-07 EP disclosed