SCHEMBL17697662

SCHEMBL17697662

[c]1c(Cc2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.34
CYP3A4 P08684 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL207607 0.83 CALM1 (0.55) CALM1LOXL2CYP3A4KDM4EMAPT
SCHEMBL28033340 0.78 TAAR1 (0.45) LOXL2CYP3A4TAAR1CYP2D6CYP2C9
SCHEMBL6286439 0.78 TP53 (0.36) TAAR1MAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL7311782 0.78 ALDH1A1 (0.36) TAAR1TSHRALDH1A1
SCHEMBL4757375 0.77 KDM4E (0.45) CYP3A4TAAR1KDM4EMAPT
SCHEMBL11122278 0.76 CALM1 (0.43) CALM1CYP3A4TAAR1RAB9ASMN1; SMN2
SCHEMBL379055 0.75 ALDH1A1 (0.47) CYP3A4TAAR1MAPTRAB9ANPC1
SCHEMBL7463268 0.73 CALM1 (0.44) CALM1LOXL2CYP3A4TAAR1KDM4E
SCHEMBL6544944 0.73 CALM1 (0.44) CALM1LOXL2CYP3A4HPGDTSHR
SCHEMBL27614571 0.73 CALM1 (0.44) CALM1LOXL2CYP3A4KDM4EMAPT

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-3012896-B1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME UBE INDUSTRIES (JP) 2018-03-28 EP claimed
EP-3012896-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME UBE Industries, Ltd. (JP) 2016-04-27 EP disclosed