SCHEMBL29197871

SCHEMBL29197871

C=C(C)C(CC)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
TRPA1 O75762 2/20 0.48
PPARG P37231 2/20 0.45
CPA3 P15088 3/20 0.44
CPA1 P15085 2/20 0.44
FOLH1 Q04609 1/20 0.44
CPB1 P15086 1/20 0.44
CPB2 Q96IY4 1/20 0.44
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
SLC6A2 P23975 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
MAOA P21397 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP2A6 P11509 1/20 0.42

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
SCHEMBL20149700 0.80 CYP1A2 (0.55) CYP1A2TRPA1PPARGCPA3CPA1
SCHEMBL11634382 0.80 CYP1A2 (0.67) CYP1A2TRPA1PPARGCPA3CPA1
SCHEMBL21895912 0.80 CYP1A2 (0.67) CYP1A2TRPA1PPARGCPA3CPA1
SCHEMBL6684404 0.79 CPA1 (0.68) CYP1A2CPA3CPA1FOLH1CPB1
SCHEMBL27341237 0.79 CYP1A2 (0.46) CYP1A2TRPA1CPA3CPA1FOLH1
SCHEMBL4824430 0.79 CYP1A2 (0.60) CYP1A2TRPA1PPARGCPA3CPA1
SCHEMBL28040970 0.78 CYP1A2 (0.64) CYP1A2TRPA1PPARGCPA3CPA1
SCHEMBL24439255 0.78 CYP1A2 (0.44) CYP1A2TRPA1CPA3CPA1FOLH1
SCHEMBL8076517 0.78 CYP1A2 (0.53) CYP1A2PPARGCPA3CPA1FOLH1
SCHEMBL4886609 0.78 CYP1A2 (0.69) CYP1A2TRPA1PPARGCPA3CPA1

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