SCHEMBL11468165

SCHEMBL11468165

CC(C)CC(C)N(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
AOC3 Q16853 2/20 0.37
ALOX12 P18054 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TAAR1 Q96RJ0 3/20 0.37
HTR2A P28223 2/20 0.37
HRH1 P35367 1/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPA1 O75762 2/20 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
SCHEMBL11478153 0.98 ALDH1A1 (0.39) ALDH1A1AOC3ALOX12CYP3A4ALOX15
SCHEMBL24564987 0.90 CYP2C19 (0.43) ALDH1A1ALOX12TSHRLMNASMN1; SMN2
SCHEMBL105667 0.89 ALDH1A1 (0.48) ALDH1A1AOC3ALOX12CYP3A4ALOX15
SCHEMBL16962429 0.84 ALDH1A1 (0.44) ALDH1A1ALOX12CYP3A4ALOX15TSHR
SCHEMBL15093599 0.84 TDP1 (0.50) ALDH1A1ALOX12CYP3A4ALOX15TSHR
SCHEMBL16874377 0.84 MAOB (0.37) ALDH1A1AOC3CYP3A4LMNAMAPT
SCHEMBL30514608 0.82 AOC3 (0.37) ALDH1A1AOC3ALOX12CYP3A4ALOX15
SCHEMBL4924599 0.82 AOC3 (0.37) ALDH1A1AOC3ALOX12CYP3A4ALOX15
SCHEMBL29218405 0.82 ALDH1A1 (0.56) ALDH1A1ALOX12CYP3A4TSHRMAPK1
SCHEMBL11467763 0.80 AOC3 (0.40) ALDH1A1AOC3TAAR1HTR2AHRH1

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
WO-2020070961-A1 CONJUGATED DIENE POLYMER, BRANCHING AGENT, METHOD FOR MANUFACTURING CONJUGATED DIENE POLYMER, EXTENDED CONJUGATED DIENE POLYMER, RUBBER COMPOSITION, AND TIRE 旭化成株式会社 2020-04-09 WO disclosed
CN-100500705-C Nano-particle preparation and applications BRIDGESTONE CORP (JP) 2009-06-17 CN disclosed
CN-1639203-A Nano-particle preparation and applications BRIDGESTONE CORP (JP) 2005-07-13 CN disclosed
EP-0014998-A1 Preparation of tertiary aromatic amines by reductive alkylation of diaryl secondary amines with ketones UNIROYAL, INC. (US) 1980-09-03 EP disclosed