SCHEMBL18784689

SCHEMBL18784689

O=C(O)/C=C\C(=O)OC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 11/20 0.55
TSHR P16473 3/20 0.53
TP53 P04637 1/20 0.53
EGLN1 Q9GZT9 1/20 0.53
EGLN3 Q9H6Z9 1/20 0.53
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ATM Q13315 1/20 0.35
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 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
SCHEMBL18784690 1.00 HCAR2 (0.55) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL4838653 0.91 HCAR2 (0.42) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL7568618 0.91 HCAR2 (0.42) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL2402992 0.88 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL63810 0.88 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL4949804 0.88 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL5822456 0.88 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL8418674 0.88 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL20487518 0.88 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3
SCHEMBL1979606 0.88 HCAR2 (0.60) HCAR2TSHRTP53EGLN1EGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4029863-B1 MALEATE OF NICOTINYL ALCOHOL ETHER DERIVATIVE, CRYSTAL FORM THEREOF, AND APPLICATION THEREOF INST MATERIA MEDICA CAMS (CN) 2025-05-07 EP disclosed
CN-118325003-A High-salt-fog, high-hardness, high-gloss and high-water-resistance acrylic emulsion and preparation method thereof 广东衡光新材料科技有限公司 2024-07-12 CN disclosed
EP-4029863-A1 MALEATE OF NICOTINYL ALCOHOL ETHER DERIVATIVE, CRYSTAL FORM THEREOF, AND APPLICATION THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2022-07-20 EP disclosed
US-10669409-B2 Rubber composition and pneumatic tire including the same THE YOKOHAMA RUBBER CO., LTD. (JP) 2020-06-02 US disclosed
US-20170158846-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE INCLUDING THE SAME THE YOKOHAMA RUBBER CO., LTD. (JP) 2017-06-08 US disclosed
EP-3162846-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE USING SAME The Yokohama Rubber Co., Ltd. (JP) 2017-05-03 EP disclosed