SCHEMBL6943013

SCHEMBL6943013

CCCCCCCCSC(C)OC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
F2R P25116 2/20 0.40
ESR1 P03372 8/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
EPHX1 P07099 1/20 0.38
PTGS2 P35354 2/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
NR5A2 O00482 1/20 0.35
NR5A1 Q13285 1/20 0.35
VCAM1 P19320 1/20 0.34

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
SCHEMBL695085 0.82 ESR1 (0.44) LMNARECQLF2RESR1AKR1C4
SCHEMBL18837638 0.81 GAA (0.46) LMNAVCAM1
SCHEMBL18837646 0.81 GAA (0.46) LMNAVCAM1
SCHEMBL6017070 0.79 KMT2A (0.38) LMNARECQLF2REPHX1NR5A2
SCHEMBL11449043 0.78 LMNA (0.46) LMNARECQLF2RESR1AKR1C4
Dioctylsulfane SCHEMBL29663667 0.78 ESR1 (0.49) LMNARECQLF2RESR1AKR1C4
SCHEMBL695084 0.78 LMNA (0.43) LMNARECQLF2RESR1AKR1C4
SCHEMBL11580010 0.77 ESR1 (0.42) LMNARECQLF2RESR1AKR1C4
SCHEMBL236369 0.77 ESR1 (0.52) LMNARECQLESR1AKR1C4AKR1C3
SCHEMBL235122 0.77 ESR1 (0.52) LMNARECQLESR1AKR1C4AKR1C3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040163754-A1 Reactivation of pre-applied adhesives by ultrasonic waves NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION 2004-08-26 US disclosed