SCHEMBL28201838

SCHEMBL28201838

C=C(C(N)=O)C(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.59
CPA1 P15085 6/20 0.52
CPA3 P15088 3/20 0.52
FOLH1 Q04609 2/20 0.52
CPB1 P15086 1/20 0.52
CPB2 Q96IY4 1/20 0.52
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
EPHX1 P07099 1/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
MME P08473 1/20 0.49
SRR Q9GZT4 1/20 0.46

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
SCHEMBL4656025 0.84 CYP1A2 (0.63) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL28202340 0.80 EPHX1 (0.69) CYP1A2EPHX1ALPIPKMPTGS1
SCHEMBL5052372 0.79 CYP1A2 (0.68) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL6455279 0.78 ALDH1A1 (0.52) CYP1A2SLC1A3SLC1A2SLC1A1EPHX1
SCHEMBL4576184 0.78 EPHX1 (0.44) CYP1A2CPA1CPA3SLC1A3SLC1A2
SCHEMBL4664822 0.74 CYP1A2 (1.00) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL1195866 0.74 CYP1A2 (0.74) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL7353741 0.74 CYP1A2 (0.61) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL6609906 0.74 CYP1A2 (0.61) CYP1A2CPA1CPA3FOLH1CPB1
SCHEMBL1059561 0.74 CYP1A2 (0.61) CYP1A2CPA1CPA3FOLH1CPB1

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-107615062-A Hydrogel particles with tunable optical properties and methods of using the same 弹弓生物科学公司 2018-01-19 CN claimed
CN-106233424-B Silicon Wafer composition for polishing 福吉米株式会社 2018-12-25 CN disclosed
CN-107615062-A Hydrogel particles with tunable optical properties and methods of using the same 弹弓生物科学公司 2018-01-19 CN disclosed