SCHEMBL2683280

SCHEMBL2683280

CC(c1ccccc1)c1ccc(N(c2ccccc2)C(C)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
ESR1 P03372 1/20 0.38
PDCD1 Q15116 1/20 0.38
ESR2 Q92731 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
GRM2 Q14416 1/20 0.38
HTR2A P28223 3/20 0.36
HRH1 P35367 3/20 0.36
MTOR P42345 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TYR P14679 1/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34

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
SCHEMBL3693507 0.89 ALOX5 (0.47) ALOX5HTR2AHRH1MTORALDH1A1
SCHEMBL9107423 0.82 CYP3A4 (0.54) ALOX5HTR2AHRH1ALDH1A1KDM4E
SCHEMBL18979900 0.82 CYP3A4 (0.54) ALOX5ALDH1A1KDM4EKMT2AMAPT
SCHEMBL7937528 0.81 ALOX5 (0.44) ALOX5ALDH1A1LMNASMN1; SMN2
SCHEMBL17754486 0.81 NR3C2 (0.43) ESR1PDCD1ESR2CD274GRM2
SCHEMBL15998818 0.80 ALDH1A1 (0.50) ESR1PDCD1ESR2CD274GRM2
SCHEMBL8643448 0.79 ESR1 (0.55) ESR1PDCD1ESR2CD274ALDH1A1
SCHEMBL10162929 0.78 NR3C2 (0.44) ESR1PDCD1ESR2CD274GRM2
SCHEMBL32689850 0.78 NR3C2 (0.44) ESR1PDCD1ESR2CD274GRM2
SCHEMBL4669767 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2104728-B1 LUBRICATING OIL COMPOSITION SHELL INT RESEARCH (NL) 2018-10-24 EP disclosed
WO-2014184362-A1 LUBRICATING OIL COMPOSITION FOR AN INTERNAL-COMBUSTION ENGINE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2014-11-20 WO disclosed
WO-2013098354-A1 AN ENGINE OIL FOR MOTOR VEHICLES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2013-07-04 WO disclosed
US-8168573-B2 Lubricating oil composition SHELL OIL COMPANY (US) 2012-05-01 US disclosed
US-20100087348-A1 LUBRICATING OIL COMPOSITION SHELL USA, INC. 2010-04-08 US disclosed