SCHEMBL9770677

SCHEMBL9770677

CCCCC(C)CC(C(=O)O)C(CC(C)CCCC)(C(=O)O)S(=O)(=O)O.[NaH]

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.36
HSPD1 P10809 1/20 0.34
BLM P54132 1/20 0.34
HSPE1 P61604 1/20 0.34
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 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
SCHEMBL21195077 0.96 ACE2 (0.41) ACE2HSPD1BLMHSPE1SLC1A2
SCHEMBL25400658 0.89 BLM (0.41) BLM
SCHEMBL11067164 0.88 BLM (0.41) BLM
SCHEMBL51226 0.80 RECQL (0.36) HSPD1BLMHSPE1CA2MAPK1
SCHEMBL25204977 0.79 HSPD1 (0.41) ACE2HSPD1BLMHSPE1CA2
SCHEMBL186952 0.78 RECQL (0.36) HSPD1BLMHSPE1CA2MAPK1
SCHEMBL9770672 0.77 CA2 (0.36) ACE2CA2TP53
Ammonia Solution, Strong SCHEMBL3975598 0.77 RECQL (0.36) HSPD1BLMHSPE1CA2MAPK1
SCHEMBL25188201 0.77 HSPD1 (0.42) ACE2HSPD1BLMHSPE1CA2
SCHEMBL20526055 0.77 RECQL (0.36) HSPD1BLMHSPE1CA2MAPK1

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-5010132-A Water-base paint for coating the inside surface of metallic can MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-04-23 US disclosed
EP-0367493-A2 Process for coating the inside surface of a metallic can with a water-base paint MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-05-09 EP disclosed