SCHEMBL9845442

SCHEMBL9845442

O=C(CCC1CCCC1)Nc1ccc(O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDLR P01130 3/20 0.69
ALDH1A1 P00352 4/20 0.63
KMT2A Q03164 4/20 0.63
MAPK1 P28482 1/20 0.63
NPSR1 Q6W5P4 2/20 0.60
HTT P42858 2/20 0.59
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
RAB9A P51151 2/20 0.58
HPGD P15428 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MEN1 O00255 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP1A2 P05177 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL8388737 0.87 KMT2A (0.72) LDLRALDH1A1KMT2AMAPK1NPSR1
SCHEMBL29086653 0.85 KLK7 (0.72) LDLRALDH1A1KMT2AMAPK1NPSR1
SCHEMBL22475217 0.84 KLK7 (0.79) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL11730422 0.84 ALDH1A1 (0.67) LDLRALDH1A1KMT2AMAPK1NPSR1
SCHEMBL4069437 0.84 EPHX2 (0.71) LDLRALDH1A1KMT2AMAPK1NPSR1
SCHEMBL29086702 0.84 EPHX2 (0.71) LDLRALDH1A1KMT2AMAPK1NPSR1
SCHEMBL13167582 0.83 CNR2 (0.62) LDLRALDH1A1KMT2AMAPK1NPSR1
SCHEMBL11731614 0.83 ALDH1A1 (0.70) LDLRALDH1A1KMT2AMAPK1NPSR1
SCHEMBL1948582 0.83 ALDH1A1 (0.64) ALDH1A1KMT2AMAPK1NPSR1HTT
SCHEMBL5647839 0.82 EPHX2 (0.73) LDLRKMT2ANPC1SMN1; SMN2RAB9A

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
EP-0409312-A2 High-fluidity polycarbonates and process for preparing them ENICHEM S.p.A. (IT) 1991-01-23 EP claimed
EP-0409312-A2 High-fluidity polycarbonates and process for preparing them ENICHEM S.p.A. (IT) 1991-01-23 EP disclosed