SCHEMBL29655972

SCHEMBL29655972

CCc1ccccc1-c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
FFAR1 O14842 2/20 0.46
FFAR4 Q5NUL3 2/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
HTR7 P34969 1/20 0.45
DPP4 P27487 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7934930 1.00 TRPA1 (0.46) TRPA1FFAR1FFAR4PPARGPPARA
SCHEMBL9618332 0.84 DPP4 (0.56) TRPA1PPARGPPARADPP4PDCD1
SCHEMBL31261742 0.84 DPP4 (0.60) TRPA1PPARGPPARAHTR7DPP4
SCHEMBL328862 0.84 DPP4 (0.60) TRPA1PPARGPPARAHTR7DPP4
SCHEMBL28312674 0.83 PPARA (0.47) FFAR1FFAR4PPARAHTR7DPP4
SCHEMBL812762 0.83 PDCD1 (0.57) FFAR1FFAR4HTR7DPP4PDCD1
SCHEMBL15238876 0.83 PPARG (0.49) TRPA1FFAR1FFAR4PPARGPPARA
Ethane SCHEMBL3681665 0.82 DPP4 (0.58) TRPA1PPARGPPARAHTR7DPP4
SCHEMBL4652576 0.82 DPP4 (0.52) TRPA1PPARGPPARADPP4PDCD1
Biphenyl SCHEMBL15329765 0.82 DPP4 (0.58) TRPA1PPARGPPARAHTR7DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114622226-B Method for electrocatalytic synthesis of alkyl borate 中国科学院大连化学物理研究所 2023-09-08 CN disclosed
CN-114702896-A Blue-light-resistant coating composition, preparation method thereof and blue-light-resistant material 苏州奥美材料科技有限公司 2022-07-05 CN disclosed
CN-114622226-A Method for synthesizing alkyl borate through electrocatalysis 中国科学院大连化学物理研究所 2022-06-14 CN disclosed