SCHEMBL8009891

SCHEMBL8009891

CCCCCCCCCCCCSCCCNCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
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
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR2 O95136 5/20 0.40
S1PR4 O95977 5/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
S1PR5 Q9H228 1/20 0.40
FAAH O00519 4/20 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
SCHEMBL8019833 1.00 ALDH1A1 (0.46) ALDH1A1TSHRCES2HSD17B10GMNN
SCHEMBL8023801 0.92 CES2 (0.42) ALDH1A1TSHRCES2HSD17B10GMNN
SCHEMBL9426392 0.92 CES2 (0.42) ALDH1A1TSHRCES2HSD17B10GMNN
SCHEMBL11474183 0.90 ALDH1A1 (0.42) ALDH1A1TSHRCES2HSD17B10GMNN
SCHEMBL11466731 0.88 ALDH1A1 (0.39) ALDH1A1TSHRTP53POLBMAPT
SCHEMBL11464256 0.83 ALDH1A1 (0.39) ALDH1A1TSHRCES2HSD17B10GMNN
SCHEMBL7637730 0.83 ALDH1A1 (0.68) ALDH1A1TSHRHSD17B10LMNAMEN1
SCHEMBL818323 0.83 ALDH1A1 (0.68) ALDH1A1TSHRHSD17B10LMNAMEN1
SCHEMBL118940 0.83 ALDH1A1 (0.68) ALDH1A1TSHRHSD17B10LMNAMEN1
SCHEMBL474300 0.83 ALDH1A1 (0.68) ALDH1A1TSHRHSD17B10LMNAMEN1

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