SCHEMBL8674591

SCHEMBL8674591

OCCCCC[CH]CCCCCCO

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MIF P14174 1/20 0.32
SQLE Q14534 1/20 0.31

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
SCHEMBL9445572 1.00 LMNA (0.42) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL8666552 1.00 LMNA (0.42) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL5915230 1.00 LMNA (0.42) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL8668611 1.00 LMNA (0.42) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL8672525 1.00 LMNA (0.42) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL11685517 0.97 LMNA (0.40) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL9325398 0.96 SMN1; SMN2 (0.39) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL526694 0.94 LMNA (0.38) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL1068156 0.94 LMNA (0.38) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL11019429 0.94 LMNA (0.38) LMNAALDH1A1TSHRHSD17B10MEN1

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-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US disclosed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US disclosed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 EP disclosed