SCHEMBL5368748

SCHEMBL5368748

CC(C)C(C)(C)CCCO

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGS1 P23219 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL5463680 0.97 CYP4F2 (0.38) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL2151614 0.85
SCHEMBL6060603 0.81 FFAR1 (0.31) TDP1
SCHEMBL7248706 0.80 TDP1 (0.40) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL18721839 0.80 MEN1 (0.42) LMNAALDH1A1MEN1KMT2A
SCHEMBL7243211 0.78 SMN1; SMN2 (0.35) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL598014 0.77 TSHR (0.33) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL11489442 0.77 RIPK1 (0.33)
SCHEMBL21899638 0.77 SMN1; SMN2 (0.38) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL8723922 0.76 CYP4F2 (0.35) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10

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 disclosed
US-20060041079-A1 Hydrogenation catalyst composition and process for hydrogenation of conjugated diene polymer TSRC CORPORATION 2006-02-23 US disclosed
US-6881797-B2 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2005-04-19 US disclosed
US-20040082727-A1 Process for hydrogenation of conjugated diene polymer TSRC CORPORATION (CN) 2004-04-29 US disclosed