SCHEMBL26658593

SCHEMBL26658593

C=C(CCC1CCCCCCCC1)NC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
SIGMAR1 Q99720 2/20 0.42
HSD11B1 P28845 1/20 0.41
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 2/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
EPHX1 P07099 1/20 0.34

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
SCHEMBL14393046 0.76 KMT2A (0.38) HPGDSIGMAR1CYP1A2GAAKMT2A
SCHEMBL20902891 0.76 CYP1A2 (0.44) HPGDSIGMAR1HSD11B1CYP1A2ALDH1A1
SCHEMBL5245833 0.75 HPGD (0.63) HPGDALDH1A1GAAMEN1MAPT
SCHEMBL8393928 0.75 HPGD (0.63) HPGDALDH1A1GAAMEN1MAPT
SCHEMBL12643323 0.73 HPGD (0.45) HPGDSIGMAR1HSD11B1CYP1A2ALDH1A1
SCHEMBL6392074 0.72 HPGD (0.60) HPGDCYP1A2ALDH1A1GAAMEN1
SCHEMBL23511619 0.71 HPGD (0.44) HPGDSIGMAR1HSD11B1CYP1A2ALDH1A1
SCHEMBL20382634 0.71 HPGD (0.44) HPGDSIGMAR1HSD11B1CYP1A2ALDH1A1
SCHEMBL18481642 0.71
SCHEMBL8159785 0.70 CYP1A2 (0.48) HPGDSIGMAR1HSD11B1CYP1A2ALDH1A1

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
EP-4268857-A1 NOVEL MULTILAYER POLYMER-COATED CROSSLINKED ALGINATE GEL FIBER Mochida Pharmaceutical Co., Ltd. (JP) 2023-11-01 EP disclosed