SCHEMBL8517652

SCHEMBL8517652

CCCCCC(CCO)(CCCCC)CCCCC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FDPS P14324 10/20 0.39
GGPS1 O95749 7/20 0.39
THRB P10828 1/20 0.37
CES2 O00748 1/20 0.37

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
Hexane SCHEMBL6111434 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
Hexane SCHEMBL77892 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
Hexane SCHEMBL9340228 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL21899639 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
Hexane SCHEMBL534288 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL14208157 0.97 LMNA (0.52) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL6354364 0.97 LMNA (0.52) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL2344964 0.97 LMNA (0.52) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL2350132 0.95 LMNA (0.50) SMN1; SMN2LMNAALDH1A1TSHRHSD17B10
SCHEMBL2348904 0.95 LMNA (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874436-A EFFECTIVE IN INHIBITING THE ACTION OF A BACTERIAL HISTIDINE PROTEIN KINASE; USEFUL AGAINST ANTIBIOTIC RESISTANT ORGANISMS DEMERS JAMES P (US) 1999-02-23 US disclosed
WO-1997048676-A1 TRIPHENYLALKYL ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-24 WO disclosed
US-5643950-A INHIBITORS OF A BACTERIAL HISTIDINE PROTEIN KINASE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-07-01 US disclosed