SCHEMBL4450995

SCHEMBL4450995

Cc1ccccc1P(OC1CCC1)OC1CCC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
SLC6A2 P23975 4/20 0.32
SLC6A3 Q01959 4/20 0.32
SLC6A4 P31645 3/20 0.32
HTR2C P28335 2/20 0.31
CXCR5 P32302 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NQO2 P16083 1/20 0.30

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
SCHEMBL4459830 0.92 TSHR (0.35) TSHRACHESLC6A2SLC6A3SLC6A4
SCHEMBL4451703 0.78 ADRA2A (0.32) KDM4E
SCHEMBL4446421 0.77 TSHR (0.35) LMNATSHRKDM4E
SCHEMBL4451175 0.73 LIPG (0.34) ACHE
SCHEMBL4454309 0.72 CYP3A4 (0.35)
SCHEMBL3963420 0.70 HTR2C (0.34) LMNATSHRACHESLC6A2SLC6A3
SCHEMBL4456095 0.70 ADRA2A (0.33)
SCHEMBL5599006 0.70 HRH1 (0.38) LMNATSHRKDM4E
SCHEMBL4448593 0.69 MAPT (0.36) LMNATSHRKDM4E
SCHEMBL4451856 0.69 TSHR (0.43) LMNATSHRACHESLC6A2SLC6A3

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
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed