SCHEMBL29993202

SCHEMBL29993202

CCCc1ccc(-c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.47
MAOB P27338 2/20 0.44
KCNH2 Q12809 1/20 0.44
PTGS2 P35354 1/20 0.44
FFAR1 O14842 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MCL1 Q07820 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
PDE10A Q9Y233 1/20 0.41

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
SCHEMBL8029291 0.96 MAOB (0.47) HSD11B1MAOBNPC1MAPTRAB9A
SCHEMBL1951510 0.89 FFAR1 (0.54) HSD11B1KCNH2FFAR1KDM4ENPC1
SCHEMBL8040096 0.88 CNR2 (0.46) HSD11B1MAOBKCNH2FFAR1TAAR1
SCHEMBL11512580 0.88 HSD11B1 (0.62) HSD11B1ALDH1A1MAPTHPGDHSD17B10
SCHEMBL29732195 0.86 ABL1 (0.52) PTGS2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL29939361 0.86 HSD11B1 (0.63) HSD11B1KCNH2PTGS2KDM4EALDH1A1
Ethyne SCHEMBL28568325 0.84 FFAR1 (0.50) HSD11B1KCNH2FFAR1KDM4ENPC1
SCHEMBL5599432 0.84 HSD11B1 (0.61) HSD11B1KCNH2PTGS2KDM4EALDH1A1
SCHEMBL29100401 0.84 CNR1 (0.48) KCNH2KDM4ENPC1ALDH1A1MAPT
SCHEMBL35867 0.84 HSD11B1 (0.61) HSD11B1KCNH2PTGS2KDM4EALDH1A1

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
CN-115322070-B Preparation method of p-alkylphenyl o-fluorobenzene 烟台盛华液晶材料有限公司 2024-04-23 CN disclosed
CN-115322070-A Preparation method of p-alkyl phenyl o-fluorobenzene 烟台盛华液晶材料有限公司 2022-11-11 CN disclosed