SCHEMBL27898596

SCHEMBL27898596

CCCc1cc(Cl)c(O)c(CN)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
BACE1 P56817 1/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL11573523 0.90 HPGD (0.44) CYP3A4SMN1; SMN2AKR1C2AKR1C1NPC1
SCHEMBL28138608 0.87 CNR1 (0.41) CYP3A4CNR1CNR2BACE1GABRA1
SCHEMBL445337 0.82 HSD17B10 (0.46) CYP1A2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL27790733 0.80 GABRA1 (0.47) CYP3A4CNR1CNR2BACE1GABRA1
SCHEMBL28787872 0.78 ALDH1A1 (0.45) CYP3A4HSD17B10CNR1CNR2GABRA1
Hydrochloric Acid SCHEMBL11677348 0.77 TTR (0.34) CYP3A4CNR1CNR2BACE1GABRA1
SCHEMBL9140368 0.76 KDM4E (0.40) CYP1A2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL27900892 0.76 HSPA5 (0.56) CYP1A2CYP2C9CYP3A4CYP2D6CYP2C19
SCHEMBL10415447 0.76 PTGS2 (0.43) CYP3A4CNR1CNR2SMN1; SMN2AKR1C2
SCHEMBL24114707 0.75 PTPN1 (0.46) HSD17B10BACE1GABRA1GABRB2GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107580543-A System and method for the reactive ink jet printing of makrolon 沙特基础工业全球技术有限公司 2018-01-12 CN disclosed
CN-101506267-B Weather-resistant and heat-stable polymers with improved flow components SABIC INNOVATIVE PLASTICS IP 2014-08-27 CN disclosed
CN-102812069-B Method of making polycarbonate SABIC INNOVATIVE PLASTICS IP 2014-06-11 CN disclosed
CN-101873891-B Method of producing polycarbonate in flash devolatilization system SABIC INNOVATIVE PLASTICS IP 2013-12-18 CN disclosed
CN-101341197-B Method of improving abrasion resistance of plastic article using functionalized polymers and article produced thereby GEN ELECTRIC 2013-10-23 CN disclosed
CN-101874056-B Monomer solution for producing polycarbonate SABIC INNOVATIVE PLASTICS IP 2013-04-24 CN disclosed
CN-101336231-B Methods for increasing the mean particle size of 2-hydrocarbyl-3,3-bis(hydroxyaryl)phthalimidines SABIC INNOVATIVE PLASTICS IP 2013-04-17 CN disclosed