SCHEMBL29434668

SCHEMBL29434668

C=C(C)c1ccccc1[SiH2]c1ccc(OCCC)c(OCCC)c1OCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 4/20 0.36
▸ CNR2 P34972 4/20 0.36
▸ MEN1 O00255 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ LMNA P02545 5/20 0.32
▸ MAPT P10636 3/20 0.32
▸ CHRM2 P08172 2/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ADRB2 P07550 1/20 0.31

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
SCHEMBL28734583 0.73 MEN1 (0.32) MEN1KMT2AADRA2A
SCHEMBL29434679 0.72 ALDH1A1 (0.33) LMNAMAPTALDH1A1KDM4ECYP2C9
SCHEMBL706125 0.67 CHRM2 (0.47) MEN1KMT2AHIF1ALMNAMAPT
SCHEMBL23493396 0.67 ALDH1A1 (0.37) LMNACYP3A4ALDH1A1L3MBTL1TSHR
SCHEMBL29434642 0.67 ALDH1A1 (0.37) LMNACYP3A4ALDH1A1L3MBTL1TSHR
SCHEMBL5034596 0.67 LMNA (0.55) CNR1CNR2MEN1KMT2AHIF1A
SCHEMBL5039214 0.65 LMNA (0.62) CNR1CNR2MEN1KMT2AHIF1A
SCHEMBL9702630 0.64 LMNA (0.54) CNR1CNR2MEN1KMT2AHIF1A
SCHEMBL1835382 0.64 KDM4E (0.42) MEN1KMT2AHIF1ALMNAMAPT
SCHEMBL14956512 0.64 LMNA (0.47) CNR1CNR2MEN1KMT2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174350-A Conjugated diene polymer, branching agent, method for producing conjugated diene polymer, oil-extended conjugated diene polymer, rubber composition, and tire 旭化成株式会社 2022-03-11 — — CN disclosed
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