SCHEMBL29197870

SCHEMBL29197870

C=CC[C@H](CC)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 5/20 0.41
SIGMAR1 Q99720 4/20 0.41
SLC6A2 P23975 2/20 0.41
MAOA P21397 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
EPHX1 P07099 1/20 0.39
SLC18A2 Q05940 1/20 0.38
CYP2D6 P10635 1/20 0.38
TP53 P04637 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL17457057 1.00 TRPA1 (0.43) TRPA1SMN1; SMN2TAAR1SIGMAR1SLC6A2
SCHEMBL3669411 0.81 ALDH1A1 (0.39) TRPA1SLC6A4TSHR
SCHEMBL25955883 0.81 THRB (0.33) TRPA1SLC6A4CYP2C19
SCHEMBL3077663 0.81 TRPA1 (0.54) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL8087389 0.81 TRPA1 (0.54) TRPA1TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL6876618 0.81 TRPA1 (0.46) TRPA1SMN1; SMN2TAAR1SIGMAR1SLC6A2
SCHEMBL250981 0.81 TRPA1 (0.46) TRPA1SMN1; SMN2TAAR1SIGMAR1SLC6A2
SCHEMBL6876621 0.81 EPHX1 (0.43) SMN1; SMN2TAAR1SIGMAR1SLC6A2MAOA
SCHEMBL5672807 0.81 TRPA1 (0.46) TRPA1SMN1; SMN2TAAR1SIGMAR1SLC6A2
SCHEMBL253328 0.81 SMN1; SMN2 (0.42) SMN1; SMN2TAAR1SIGMAR1SLC6A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117683082-A Engineered cytolytic immune cells 奥托路斯有限公司 2024-03-12 CN disclosed
CN-111954813-B Engineered cytolytic immune cells 奥托路斯有限公司 2024-01-19 CN disclosed