SCHEMBL8060422

SCHEMBL8060422

c1ccc(Cc2cccc3c2-c2ccccc2-3)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.46
HTR2A P28223 1/20 0.45
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
ELANE P08246 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTSG P08311 1/20 0.41
NR1H2 P55055 1/20 0.39
ALOX5 P09917 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37

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
SCHEMBL2555306 0.86 HSPA5 (0.40) HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL5347167 0.84 ELANE (0.53) HTR2AELANECYP1A2CYP3A4CYP2D6
SCHEMBL29040201 0.81 CALM1 (0.55) CALM1HTR2ABCL2BCL2L1ELANE
SCHEMBL11410320 0.79 NPC1 (0.47) CALM1HTR2ABCL2BCL2L1ELANE
SCHEMBL13935792 0.79 ELANE (0.60) CALM1HTR2AELANECYP1A2CYP3A4
SCHEMBL6229874 0.79 CALM1 (0.58) CALM1HTR2ABCL2BCL2L1ELANE
SCHEMBL23280579 0.77 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19NR1H2HPGD
SCHEMBL1791522 0.77 ALDH1A1 (0.36) NR1H2SMN1; SMN2MEN1KMT2A
SCHEMBL21380578 0.76 HTR2A (0.44) CALM1HTR2ABCL2BCL2L1ELANE
SCHEMBL2869740 0.76 ELANE (0.66) ELANECYP1A2CYP2C9CTSGSMN1; SMN2

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-0589427-B1 Thermosensitive recording medium DAINIPPON INK & CHEMICALS (JP) 1997-03-12 EP claimed
EP-1017658-A1 BENZYL-BIPHENYLS AND ANALOGOUS COMPOUNDS AND THE APPLICATION THEREOF IN ORDER TO TREAT ARTERIOSCLEROSIS AND DYSLIPIDAEMIA Bayer Aktiengesellschaft (DE) 2000-07-12 EP disclosed
WO-1999015487-A1 BENZYL-BIPHENYLS AND ANALOGOUS COMPOUNDS AND THE APPLICATION THEREOF IN ORDER TO TREAT ARTERIOSCLEROSIS AND DYSLIPIDAEMIA BAYER AKTIENGESELLSCHAFT (DE) 1999-04-01 WO disclosed