SCHEMBL28025438

SCHEMBL28025438

Clc1ccccc1C1=C[CH]c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
PTPRC P08575 1/20 0.41
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
DCUN1D1 Q96GG9 2/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD11B1 P28845 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
IDO1 P14902 1/20 0.34
CYP1A2 P05177 1/20 0.33
ALPL P05186 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
SCHEMBL5824297 0.81 MEN1 (0.32) PTPRCNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28515390 0.74 NPC1 (0.38) NPC1RAB9ASMN1; SMN2LMNAHPGD
SCHEMBL5076754 0.73 ALDH1A1 (0.41) CYP2A6PTPRCHPGDDPP4ALDH1A1
SCHEMBL7790606 0.72 IDO1 (0.35) CYP2A6PTPRCLMNAHPGDTSHR
SCHEMBL7644097 0.71 PTPN1 (0.44) CYP2A6SMN1; SMN2TP53HPGDTSHR
SCHEMBL28521495 0.69 TRPA1 (0.34) CYP2A6NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL28521719 0.69 HSD11B1 (0.41) HPGDTSHRALDH1A1TDP1HSD11B1
SCHEMBL671133 0.69 CYP2A6 (0.67) CYP2A6PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL29802156 0.69 CYP2A6 (0.67) CYP2A6PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL29883244 0.69 CYP2A6 (0.67) CYP2A6PTPRCNPC1RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109824802-A Metallocenic compound, catalyst system and the polymerization using them of bridging 埃克森美孚化学专利公司 2019-05-31 CN claimed
CN-108137729-B Catalysts for forming multimodal polymers 埃克森美孚化学专利公司 2021-02-05 CN disclosed
CN-109824802-A Metallocenic compound, catalyst system and the polymerization using them of bridging 埃克森美孚化学专利公司 2019-05-31 CN disclosed
CN-104822697-A Bridged metallocene compounds, catalyst systems and polymerization processes using the same EXXONMOBIL CHEM PATENTS INC 2015-08-05 CN disclosed