SCHEMBL964588

SCHEMBL964588

CCCOC(=O)C(S)[Zn]C(S)C(=O)OCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 5/20 0.36
LMNA P02545 1/20 0.35
ESR1 P03372 1/20 0.34
CHRM1 P11229 1/20 0.34
TSHR P16473 1/20 0.34
SLC6A2 P23975 1/20 0.34
KDR P35968 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 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
SCHEMBL965728 0.87 ALDH1A1 (0.50) HCAR2ALDH1A1LMNAESR1TSHR
SCHEMBL967144 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHRNAAA
SCHEMBL967696 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHRNAAA
SCHEMBL964228 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHRNAAA
SCHEMBL968353 0.84 NAAA (0.52) HCAR2ALDH1A1LMNATSHRNAAA
SCHEMBL964380 0.81 ALDH1A1 (0.43) HCAR2ALDH1A1LMNACHRM1HSD17B10
SCHEMBL10329474 0.78 HCAR2 (0.41) HCAR2ALDH1A1LMNAESR1CHRM1
SCHEMBL2135774 0.76
SCHEMBL9539625 0.76
SCHEMBL2135231 0.74 HDAC1 (0.39) HCAR2ALDH1A1LMNAESR1CHRM1

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-2280057-B2 LUBRICATING OIL COMPOSITION FOR INTERNAL COMBUSTION ENGINE IDEMITSU KOSAN CO (JP) 2016-11-23 EP disclosed
US-9321981-B2 Lubricating oil composition for internal combustion engine IDEMITSU KOSAN CO., LTD. (JP) 2016-04-26 US disclosed
US-20110021393-A1 LUBRICATING OIL COMPOSITION FOR INTERNAL COMBUSTION ENGINE IDEMITSU KOSAN CO., LTD. (JP) 2011-01-27 US disclosed