SCHEMBL28040187

SCHEMBL28040187

C=C(C#N)C(=O)Oc1ccccc1.O=C(O)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ELANE P08246 1/20 0.41
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAOB P27338 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
NSD2 O96028 1/20 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
SCHEMBL604740 0.95 HSD17B10 (0.48) HSD17B10NPC1RAB9AHPGDCYP1A2
SCHEMBL28040189 0.81 HSD17B10 (0.38) HSD17B10NPC1RAB9AHPGDCYP1A2
SCHEMBL9514642 0.79 ELANE (0.56) HSD17B10NPC1RAB9AHPGDCYP1A2
SCHEMBL5012586 0.79 ALDH1A1 (0.40) HSD17B10NPC1RAB9AHPGDCYP3A4
SCHEMBL28237096 0.79 MAOB (0.54) NPC1RAB9ACYP1A2CYP2C19MAOB
SCHEMBL4211366 0.77 ELANE (0.49) HSD17B10NPC1RAB9AHPGDELANE
Benzoic Acid SCHEMBL28645605 0.77 ELANE (0.48) HSD17B10NPC1RAB9AELANEALDH1A1
SCHEMBL28459480 0.77 ALDH1A1 (0.39) HSD17B10NPC1RAB9AHPGDCYP1A2
SCHEMBL2445881 0.77 LMNA (0.50) CYP1A2CYP2C9CYP2C19ELANEALDH1A1
SCHEMBL27521888 0.77 ELANE (0.67) HSD17B10HPGDCYP1A2ELANEALDH1A1

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
CN-105189679-B hot melt adhesive comprising cyanoacrylate curing compounds 汉高股份有限及两合公司 2018-06-05 CN disclosed
CN-105189679-A Hot melt adhesive comprising cyanoacrylate curing compounds HENKEL AG & CO KGAA 2015-12-23 CN disclosed