SCHEMBL8853371

SCHEMBL8853371

CCCCSN(SCCCC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
BLM P54132 1/20 0.39
AKR1B1 P15121 1/20 0.37
CES1 P23141 2/20 0.36
GPR84 Q9NQS5 7/20 0.36
PPARG P37231 7/20 0.36
PPARD Q03181 7/20 0.36
PPARA Q07869 7/20 0.36
HDAC11 Q96DB2 5/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 4/20 0.36
PTPN1 P18031 3/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36

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
Hydrochloric Acid SCHEMBL10822670 0.98 HSD17B10 (0.38) HSD17B10GMNNTP53POLBMAPT
Carbamic Acid SCHEMBL1300822 0.92 NOS3 (0.38) HSD17B10GMNNTP53POLBMAPT
SCHEMBL6907435 0.85 TDP1 (0.39) HSD17B10GMNNTP53POLBMAPT
Hydrochloric Acid SCHEMBL10823079 0.83 TDP1 (0.37) HSD17B10GMNNTP53POLBMAPT
SCHEMBL28204335 0.83 CES1 (0.38) HSD17B10GMNNTP53POLBMAPT
SCHEMBL4706800 0.82 HSD17B10 (0.36) HSD17B10GMNNTP53POLBMAPT
SCHEMBL11444258 0.79 HSD17B10 (0.38) HSD17B10GMNNTP53POLBMAPT
SCHEMBL10822669 0.79 ALDH1A1 (0.41) HSD17B10GMNNTP53POLBMAPT
SCHEMBL8777417 0.79 NOS3 (0.41) HSD17B10GMNNTP53POLBMAPT
Zinc Ion SCHEMBL10586397 0.77 CA1 (0.38) HSD17B10GMNNTP53POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5667574-A TITANATE COUPLING AGENT CHI MAY CO., LTD. (TW) 1997-09-16 US claimed
US-5667574-A TITANATE COUPLING AGENT CHI MAY CO., LTD. (TW) 1997-09-16 US disclosed