SCHEMBL4560478

SCHEMBL4560478

S=C(S)NCCCCCCCCCCS

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.48
CYP2C9 P11712 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 1/20 0.48
HDAC3 O15379 8/20 0.41
HDAC4 P56524 8/20 0.41
HDAC1 Q13547 8/20 0.41
HDAC7 Q8WUI4 8/20 0.41
HDAC2 Q92769 8/20 0.41
HDAC10 Q969S8 8/20 0.41
HDAC11 Q96DB2 8/20 0.41
HDAC8 Q9BY41 8/20 0.41
HDAC6 Q9UBN7 8/20 0.41
HDAC9 Q9UKV0 8/20 0.41
HDAC5 Q9UQL6 8/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL4560127 1.00 HSD17B10 (0.48) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL4559806 1.00 HSD17B10 (0.48) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL4560642 1.00 HSD17B10 (0.48) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL4558417 1.00 HSD17B10 (0.48) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL4558437 1.00 HSD17B10 (0.48) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL4560879 1.00 HSD17B10 (0.48) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL4560254 1.00 HSD17B10 (0.48) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL4560306 1.00 HSD17B10 (0.48) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL4559804 1.00 HSD17B10 (0.48) HSD17B10CYP2C9ALDH1A1HPGDALOX15
SCHEMBL4559857 1.00 HSD17B10 (0.48) HSD17B10CYP2C9ALDH1A1HPGDALOX15

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-20090123516-A1 DRUG DELIVERY FROM IMPLANTS USING SELF-ASSEMBLED MONOLAYERS-THERAPEUTIC SAMS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-05-14 US disclosed