SCHEMBL11544683

SCHEMBL11544683

CCCCCCSC(O)(CCCCCC(C)C)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GMNN O75496 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
CYP2C9 P11712 1/20 0.40
HSPD1 P10809 1/20 0.39
HSPE1 P61604 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
GPR84 Q9NQS5 6/20 0.38
FFAR1 O14842 1/20 0.38
EPHX1 P07099 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 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
SCHEMBL11550381 0.89 GMNN (0.48) BLMMAPTHSD17B10GMNNTP53
SCHEMBL11425415 0.85 BLM (0.33) BLMMAPTHSD17B10GMNNTP53
SCHEMBL9954504 0.81 HSPD1 (0.45) BLMMAPTHSD17B10HSPD1HSPE1
SCHEMBL11787412 0.78 ACE2 (0.36) BLMMAPTHSPD1HSPE1ACE2
SCHEMBL3996277 0.77 HSD17B10 (0.50) BLMMAPTHSD17B10GMNNTP53
SCHEMBL28556338 0.77 ACACB (0.38) BLMACE2GPR84FFAR1EPHX1
SCHEMBL8745108 0.76 ACACB (0.40) BLM
SCHEMBL6263078 0.76 ACE2 (0.46) BLMMAPTHSPD1HSPE1ACE2
SCHEMBL10649440 0.76 KDM4C (0.37) BLMHSPD1HSPE1ACE2EPHX1
SCHEMBL3948914 0.76 ACE2 (0.46) BLMMAPTHSPD1HSPE1ACE2

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-4157971-A ALIPHATIC ESTER, PHENYL NAPHTHYLAMINES, PHOSPHATE ESTER, POLYHYDROXY ANTHRAQUINONE, ALKYL THIOACID ESTER TEXACO INC. (US) 1979-06-12 US disclosed