SCHEMBL5373491

SCHEMBL5373491

CCCCCOc1ccc([SiH3])c(OCCCCC)c1OCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.40
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NR5A1 Q13285 1/20 0.38

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
SCHEMBL5032298 0.94 LMNA (0.43) MCHR1MAPTALDH1A1LMNANPSR1
SCHEMBL2686471 0.89 ALDH1A1 (0.42) MCHR1MAPTALDH1A1LMNANPSR1
SCHEMBL1984241 0.82 CYP1A2 (0.52) MCHR1MAPTALDH1A1LMNANPSR1
SCHEMBL29091824 0.79 CYP1A2 (0.52) MCHR1MAPTALDH1A1LMNANPSR1
SCHEMBL9420344 0.79 SMN1; SMN2 (0.34) MAPTLMNAKDM4ECHRM2HTR2B
SCHEMBL8225071 0.79 L3MBTL1 (0.47) MCHR1MAPTALDH1A1LMNANPSR1
SCHEMBL1837034 0.78 ESR1 (0.49) MAPTLMNAMEN1NR1I2CHRM2
SCHEMBL8227403 0.78 L3MBTL1 (0.43) MCHR1MAPTALDH1A1LMNANPSR1
SCHEMBL7306616 0.78 LMNA (0.42) MCHR1MAPTALDH1A1LMNANPSR1
SCHEMBL5034227 0.77 LMNA (0.44) MCHR1MAPTALDH1A1LMNANPSR1

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
US-7186782-B2 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2007-03-06 — — US claimed
US-20060041079-A1 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION 2006-02-23 — — US claimed
US-7186782-B2 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2007-03-06 — — US disclosed
US-20060041079-A1 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION 2006-02-23 — — US disclosed
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