SCHEMBL28057552

SCHEMBL28057552

Cc1c(O)cccc1O.N=C=O.N=C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.54
ATM Q13315 1/20 0.54
THRB P10828 2/20 0.41
ALDH1A1 P00352 6/20 0.39
CA2 P00918 5/20 0.39
HPGD P15428 5/20 0.39
ALOX15 P16050 5/20 0.39
HSD17B10 Q99714 5/20 0.39
CA1 P00915 4/20 0.39
RECQL P46063 4/20 0.39
TDP1 Q9NUW8 4/20 0.39
LMNA P02545 3/20 0.39
EGFR P00533 2/20 0.39
FYN P06241 2/20 0.39
MMP9 P14780 2/20 0.39
ADAMTS4 O75173 1/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
CA6 P23280 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL2009347 0.89 TRPA1 (0.74) TRPA1ATMTHRBALDH1A1CA2
SCHEMBL4873527 0.84 TRPA1 (0.72) TRPA1ATMTHRBALDH1A1CA2
SCHEMBL33721 0.84
Formaldehyde SCHEMBL9393871 0.81 TRPA1 (0.62) TRPA1ATMTHRBALDH1A1CA2
Hydrochloric Acid SCHEMBL7792394 0.81 TRPA1 (0.68) TRPA1ATMTHRBALDH1A1CA2
SCHEMBL30632314 0.81 TRPA1 (0.68) TRPA1ATMTHRBALDH1A1CA2
Potassium SCHEMBL30632313 0.81 TRPA1 (0.68) TRPA1ATMTHRBALDH1A1CA2
SCHEMBL29085428 0.81 TRPA1 (0.68) TRPA1ATMTHRBALDH1A1CA2
SCHEMBL27932172 0.81 TRPA1 (0.68) TRPA1ATMTHRBALDH1A1CA2
SCHEMBL27913911 0.81 TRPA1 (0.68) TRPA1ATMTHRBALDH1A1CA2

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
CN-109289557-A A kind of decoloration film and its preparation method and application 中国科学院过程工程研究所 2019-02-01 CN claimed
CN-109289557-A A kind of decoloration film and its preparation method and application 中国科学院过程工程研究所 2019-02-01 CN disclosed
CN-206414992-U A kind of equipment for producing fiber nano filtering film 枫科(北京)膜技术有限公司 2017-08-18 CN disclosed
CN-103688215-B Liquid crystal sealing agent and liquid crystal display cell using the same 日本化药株式会社 2017-04-12 CN disclosed
CN-205379815-U Production hollow fiber receives equipment of filter membrane 北京新源国能科技有限公司 2016-07-13 CN disclosed
CN-205361082-U Hollow fiber receives filter membrane 北京新源国能科技有限公司 2016-07-06 CN disclosed