SCHEMBL29434679

SCHEMBL29434679

C=C(C)c1ccc([SiH2]c2ccc(OCCCC)c(OCCCC)c2OCCCC)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ WDR5 P61964 1/20 0.32
▸ CCNE2 O96020 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ SMPD1 P17405 3/20 0.31
▸ PTPN11 Q06124 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
SCHEMBL702281 0.75 CHRM2 (0.46) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL29434668 0.72 CNR1 (0.36) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL1984241 0.72 CYP1A2 (0.52) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL5033226 0.70 GAA (0.56) ALDH1A1LMNAMAPTHPGDGAA
SCHEMBL23493449 0.68 TSHR (0.34) LMNAHPGDGAARAB9ATP53
SCHEMBL5033563 0.68 TP53 (0.62) LMNAMAPTGAARAB9ATP53
SCHEMBL706125 0.67 CHRM2 (0.47) ALDH1A1KDM4ELMNAMAPTHPGD
SCHEMBL3001656 0.67 TP53 (0.65) LMNAMAPTGAARAB9ATP53
SCHEMBL5502709 0.67 TP53 (0.65) LMNAMAPTGAARAB9ATP53
SCHEMBL3001402 0.67 TP53 (0.65) LMNAMAPTGAARAB9ATP53

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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