SCHEMBL10080117

SCHEMBL10080117

CCC(C)(BCc1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ KCNN4 O15554 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RIPK1 Q13546 3/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34

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
SCHEMBL13193958 0.79 TAAR1 (0.35) TAAR1KCNN4CYP2C19MAPK1
SCHEMBL10080116 0.79 TAAR1 (0.35) TAAR1KCNN4MAPK1LMNA
SCHEMBL15314683 0.78 TAAR1 (0.40) TP53TAAR1SLC6A2TDP1KCNN4
SCHEMBL14558184 0.78 KIF11 (0.35) TP53TAAR1SLC6A2TDP1KCNN4
SCHEMBL14110214 0.75 RIPK1 (0.42) TAAR1KCNN4CYP1A2CYP2C19RIPK1
SCHEMBL20344216 0.68 MEN1 (0.42) TAAR1MAPK1LMNA
SCHEMBL18265910 0.67 SMN1; SMN2 (0.39) TAAR1KCNN4LMNA
SCHEMBL14489021 0.67 CACNA1G (0.40) TAAR1SLC6A2KCNN4LMNA
SCHEMBL474982 0.67 TAAR1 (0.50) TP53TAAR1KCNN4CYP2C19MAPK1
SCHEMBL21758081 0.66 TP53 (0.34) TP53TDP1

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
EP-1905608-B2 Ink jet recording method and ink jet recording device FUJIFILM CORP (JP) 2016-11-23 — — EP disclosed
US-20120082836-A1 RESIN COMPOSITION FOR LASER ENGRAVING, RESIN PRINTING PLATE PRECURSOR FOR LASER ENGRAVING, RELIEF PRINTING PLATE AND METHOD FOR PRODUCTION OF RELIEF PRINTING PLATE FUJIFILM CORPORATION (JP) 2012-04-05 — — US disclosed
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