SCHEMBL28040189

SCHEMBL28040189

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX15 P16050 1/20 0.35
CYP19A1 P11511 1/20 0.35
ELANE P08246 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
NSD2 O96028 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32

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
SCHEMBL28040187 0.81 HSD17B10 (0.44) HSD17B10NPC1RAB9AHPGDCYP1A2
SCHEMBL9514642 0.81 ELANE (0.56) HSD17B10NPC1RAB9AHPGDCYP1A2
Acetonitrile SCHEMBL15453002 0.80 ATM (0.41) HSD17B10NPC1RAB9AHPGDCYP1A2
Thiocyanic Acid SCHEMBL27741335 0.80 TDP1 (0.41) HSD17B10NPC1RAB9AHPGDCYP1A2
SCHEMBL3302 0.80 TDP1 (0.50) HSD17B10RAB9AHPGDTDP1ATM
SCHEMBL370622 0.80 TDP1 (0.50) HSD17B10RAB9AHPGDTDP1ATM
Benzene SCHEMBL7925278 0.80 TDP1 (0.50) HSD17B10RAB9AHPGDTDP1ATM
Methacrylic Acid SCHEMBL27436728 0.79 ELANE (0.49) HSD17B10HPGDCYP1A2TDP1ATM
SCHEMBL604740 0.79 HSD17B10 (0.48) HSD17B10NPC1RAB9AHPGDCYP1A2
Hydrochloric Acid SCHEMBL3896561 0.78 TDP1 (0.48) HSD17B10RAB9AHPGDTDP1ATM

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-107438648-A A kind of ferroelectricity adhesive composition 汉高股份有限及两合公司 2017-12-05 CN disclosed
CN-105189679-A Hot melt adhesive comprising cyanoacrylate curing compounds HENKEL AG & CO KGAA 2015-12-23 CN disclosed