SCHEMBL4448593

SCHEMBL4448593

CCc1ccccc1P(OC1CC1)OC1CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 6/20 0.35
TSHR P16473 2/20 0.33
CTSB P07858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
KDM4E B2RXH2 4/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL4446421 0.93 TSHR (0.35) MAPTNPSR1L3MBTL1ALDH1A1TSHR
SCHEMBL4456095 0.86 ADRA2A (0.33) MAPTALDH1A1CYP4F2CYP4A11
SCHEMBL4448716 0.83 LIPG (0.36) CYP4F2CYP4A11
SCHEMBL4451703 0.80 ADRA2A (0.32) ALDH1A1KDM4EAPOBEC3AAPOBEC3G
SCHEMBL4451175 0.78 LIPG (0.34)
SCHEMBL4458079 0.77 MAPT (0.40) MAPTNPSR1L3MBTL1TSHRCYP4F2
SCHEMBL4459830 0.76 TSHR (0.35) ALDH1A1TSHR
SCHEMBL4460493 0.75 GABRA1 (0.38) MAPTNPSR1L3MBTL1ALDH1A1TSHR
SCHEMBL4452162 0.70 L3MBTL1 (0.38) MAPTNPSR1L3MBTL1ALDH1A1TSHR
SCHEMBL1726433 0.70 GABRA1 (0.34) MAPTNPSR1L3MBTL1GABRA1GABRB2

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