SCHEMBL28258282

SCHEMBL28258282

[CH2]CC(CCC)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.43
TAAR1 Q96RJ0 4/20 0.42
SLC6A2 P23975 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
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
TRPA1 O75762 1/20 0.40
EPHX1 P07099 1/20 0.40
CSNK1E P49674 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
SLC18A2 Q05940 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL27460034 0.89 CSNK1E (0.45) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL1047441 0.87 SIGMAR1 (0.48) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL9543263 0.87 SIGMAR1 (0.48) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL7929689 0.85 CSNK1E (0.54) CSNK1E
SCHEMBL21121205 0.83 TRPA1 (0.47) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL15562967 0.83 SIGMAR1 (0.49) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL6049243 0.83 EPHX1 (0.50) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL9871271 0.83 EPHX1 (0.50) SIGMAR1TAAR1SLC6A2MAOASLC6A4
SCHEMBL18863923 0.82 SIGMAR1 (0.41) SIGMAR1
SCHEMBL27653268 0.82 SIGMAR1 (0.47) SIGMAR1TAAR1SLC6A2MAOASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105764885-B The production method of acid and free-radical generating agent and acid and free radical 富士胶片和光纯药株式会社 2018-11-09 CN disclosed