SCHEMBL4557993

SCHEMBL4557993

CCCCCCCCCCCCC(CCCCCCCCCC)Cc1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.43
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
LMNA P02545 1/20 0.38
ADA P00813 1/20 0.36
CYSLTR2 Q9NS75 2/20 0.35
CYSLTR1 Q9Y271 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 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
SCHEMBL543510 0.86 ALDH1A1 (0.42) PRSS1PRSS2PRSS3CYP1A2CYP2C9
SCHEMBL18979289 0.85 LIPG (0.45) CSNK1EPRSS1PRSS2PRSS3CYP1A2
Octadecylamine SCHEMBL27328976 0.85 ALDH1A1 (0.40) PRSS1PRSS2PRSS3KDM4EALDH1A1
SCHEMBL8945924 0.83 CSNK1E (0.43) CSNK1ECYP1A2CYP2C9CYP2C19
SCHEMBL3798456 0.82 PRSS1 (0.41) CSNK1EPRSS1PRSS2PRSS3KDM4E
SCHEMBL28248000 0.80 CSNK1E (0.38) CSNK1EPRSS1PRSS2PRSS3KDM4E
SCHEMBL13475538 0.79 TSHR (0.45) CSNK1EPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL11773673 0.79 TSHR (0.45) CSNK1EPRSS1PRSS2PRSS3ALDH1A1
SCHEMBL22856971 0.79 PRSS1 (0.40) CSNK1EPRSS1PRSS2PRSS3CYP1A2
SCHEMBL11665733 0.78 TSHR (0.44) CSNK1EPRSS1PRSS2PRSS3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021387-A2 NOVEL POLYMERS AND METHODS OF CONTROLLING VISCOSITY THE LUBRIZOL CORPORATION (US) 2009-02-11 EP disclosed
WO-2007133999-A2 NOVEL POLYMERS AND METHODS OF CONTROLLING VISCOSITY THE LUBRIZOL CORPORATION (US) 2007-11-22 WO disclosed