SCHEMBL8023801

SCHEMBL8023801

CCCCCCCCCCCCSCCNCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.42
HSD17B10 Q99714 2/20 0.42
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
BLM P54132 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
FAAH O00519 4/20 0.38
CES1 P23141 4/20 0.38
PLA2G6 O60733 1/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38

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
SCHEMBL9426392 1.00 CES2 (0.42) CES2HSD17B10GMNNTP53POLB
SCHEMBL11474183 0.98 ALDH1A1 (0.42) CES2HSD17B10GMNNTP53POLB
SCHEMBL8019833 0.92 ALDH1A1 (0.46) CES2HSD17B10GMNNTP53POLB
SCHEMBL8009891 0.92 ALDH1A1 (0.46) CES2HSD17B10GMNNTP53POLB
SCHEMBL11464256 0.92 ALDH1A1 (0.39) CES2HSD17B10GMNNTP53POLB
SCHEMBL948108 0.89 TSHR (0.50) CES2HSD17B10GMNNTP53POLB
SCHEMBL11544048 0.89 TDP1 (0.36) HSD17B10TP53ALDH1A1TSHR
SCHEMBL7483245 0.89 TSHR (0.50) CES2HSD17B10GMNNTP53POLB
SCHEMBL19627041 0.89 TSHR (0.50) CES2HSD17B10GMNNTP53POLB
SCHEMBL31357726 0.89 TSHR (0.50) CES2HSD17B10GMNNTP53POLB

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
EP-0975714-A2 LUBRICATING COMPOSTION Infineum USA L.P. (US) 2000-02-02 EP disclosed
WO-1998039400-A2 LUBRICATING COMPOSTION EXXON CHEMICAL PATENTS INC. (US) 1998-09-11 WO disclosed
US-5326487-A Mixed phosphorous- and sulfur- containing reaction products useful in power transmitting compositions EXXON CHEMICAL PATENTS INC. (US) 1994-07-05 US disclosed