SCHEMBL9746190

SCHEMBL9746190

CCc1c(C)cccc1Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
HTR2A P28223 1/20 0.42
CALM1 P0DP23 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX12 P18054 1/20 0.42
IDH1 O75874 1/20 0.41
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 1/20 0.41
ALOX5 P09917 1/20 0.40
HTT P42858 1/20 0.39
DRD2 P14416 2/20 0.39
DRD1 P21728 2/20 0.39
DRD3 P35462 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 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
SCHEMBL10599555 0.90 TP53 (0.50) TP53HTR2ACALM1BCL2BCL2L1
SCHEMBL146769 0.88 IDH1 (0.47) HTR2ACALM1SMN1; SMN2IDH1BCL2
SCHEMBL9719201 0.88 IDH1 (0.47) HTR2ACALM1SMN1; SMN2IDH1BCL2
SCHEMBL29532678 0.88 IDH1 (0.47) HTR2ACALM1SMN1; SMN2IDH1BCL2
SCHEMBL9787756 0.87 GABRA1 (0.46) ALDH1A1CYP3A4CYP2D6CYP2C19TSHR
SCHEMBL28002608 0.86 IDH1 (0.47) TP53HTR2ACALM1ALDH1A1SMN1; SMN2
SCHEMBL3468883 0.86 TAAR1 (0.42) CYP3A4CYP2C19TSHRKMT2A
SCHEMBL6546008 0.86 TP53 (0.46) TP53HTR2ACALM1ALDH1A1SMN1; SMN2
SCHEMBL6547753 0.85 LDHA (0.48) HTR2ACALM1ALDH1A1IDH1BCL2
SCHEMBL27213651 0.84 IDH1 (0.45) HTR2ACALM1ALDH1A1SMN1; SMN2IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4006814-A None JP disclosed
JP-4006815-A None JP disclosed
JP-H046814-A OIL-IMPREGNATED CAPACITOR NISSIN ELECTRIC CO LTD 1992-01-10 JP disclosed
JP-H046815-A OIL-IMPREGNATED CAPACITOR NISSIN ELECTRIC CO LTD 1992-01-10 JP disclosed