SCHEMBL15314683

SCHEMBL15314683

CC(C)(BCc1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ KCNN4 O15554 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ HIF1A Q16665 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ CALM1 P0DP23 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ESR2 Q92731 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
SCHEMBL20344216 0.88 MEN1 (0.42) TAAR1MAPK1LMNAALDH1A1
SCHEMBL18265910 0.87 SMN1; SMN2 (0.39) TAAR1KCNN4LMNAALDH1A1
SCHEMBL14489021 0.87 CACNA1G (0.40) TAAR1SLC6A2KCNN4LMNAALDH1A1
SCHEMBL15976571 0.87 TAAR1 (0.38) TAAR1CYP2C19MAPK1KCNN4HIF1A
SCHEMBL14559163 0.82 KIF11 (0.41) TAAR1CYP2C19CYP1A2KCNN4TP53
SCHEMBL10080117 0.78 TP53 (0.38) TAAR1SLC6A2TDP1CYP2C19CYP1A2
SCHEMBL14489004 0.77 TAAR1 (0.43) TAAR1CYP2C19MAPK1KCNN4TP53
SCHEMBL14641668 0.76 TAAR1 (0.38) TAAR1SLC6A2TDP1MAPK1KCNN4
SCHEMBL21758083 0.76 SLC6A2 (0.35) TAAR1SLC6A2TDP1CYP1A2LMNA
SCHEMBL14489030 0.75 KIF11 (0.38) TAAR1SLC6A2TDP1KCNN4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1657286-B1 Radiation curable ink jet ink, comprising a polymerisation initiation sensitising dye FUJIFILM CORP (JP) 2018-07-04 — — EP disclosed
EP-1958782-B1 Ink-jet recording method and apparatus FUJIFILM CORP (JP) 2014-08-27 — — EP disclosed
EP-1905610-B1 Ink jet recording method and device FUJIFILM CORP (JP) 2013-10-16 — — EP disclosed
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