SCHEMBL28059435

SCHEMBL28059435

OC=CCc1ccccc1I

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.48
IDO1 P14902 2/20 0.42
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ARG2 P78540 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.31
MAPK8 P45983 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
HSPA5 P11021 1/20 0.30

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
SCHEMBL7594295 0.84 CA1 (0.38) TAAR1CYP2D6CA1CA2ARG2
SCHEMBL248641 0.78 TAAR1 (0.54) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL6053595 0.78 TAAR1 (0.54) TAAR1IDO1CYP1A2CYP2D6CYP2C9
SCHEMBL9472069 0.77 HSPA5 (0.42) TAAR1CA1CA2ARG2PTGER4
SCHEMBL1349024 0.76 HSPA5 (0.52) TAAR1IDO1CYP2D6CA2HSPA5
SCHEMBL9875238 0.74 TAAR1 (0.48) TAAR1PTGER4PTGER3PTGER2
SCHEMBL9555426 0.74 CA1 (0.32) TAAR1CA1CA2ARG2PTGER4
SCHEMBL8037761 0.74 TAAR1 (0.48) TAAR1IDO1CYP1A2CYP2D6CYP2C19
SCHEMBL9038063 0.74 FDPS (0.39) TAAR1CYP2C9CA1CA2ARG2
SCHEMBL29140373 0.74 TAAR1 (0.50) TAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105385044-B A kind of automobile safe airbag lid material TPV and preparation method thereof 嘉兴市博尔塑胶有限公司 2018-05-22 CN claimed
CN-105385044-A TPV (Thermoplastic Vulcanizate) for automobile safety airbag cover material and preparation method for TPV Jiaxing boer plastic co ltd 2016-03-09 CN claimed
CN-105385044-B A kind of automobile safe airbag lid material TPV and preparation method thereof 嘉兴市博尔塑胶有限公司 2018-05-22 CN disclosed
CN-105385044-A TPV (Thermoplastic Vulcanizate) for automobile safety airbag cover material and preparation method for TPV Jiaxing boer plastic co ltd 2016-03-09 CN disclosed