SCHEMBL8185682

SCHEMBL8185682

CCCCCCCCOc1ccc(C(=O)OCC)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.57
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 1/20 0.57
POLB P06746 1/20 0.57
LMNA P02545 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
THRA P10827 5/20 0.51
THRB P10828 5/20 0.51
TSHR P16473 4/20 0.49
PTPN11 Q06124 1/20 0.48
TP53 P04637 2/20 0.48
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
PLA2G4B P0C869 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL22749335 0.86 ALDH1A1 (0.58) HSD17B10ALDH1A1KDM4ELMNANPC1
SCHEMBL27733999 0.85 CA12 (0.61) HSD17B10ALDH1A1POLBLMNATHRA
SCHEMBL8183565 0.85 PTPN11 (0.61) TSHRPTPN11TP53PLA2G4B
SCHEMBL4251894 0.83 ALDH1A1 (0.55) HSD17B10ALDH1A1KDM4ETSHR
SCHEMBL7773557 0.83 PTPN11 (0.59) TSHRPTPN11TP53PLA2G4B
SCHEMBL29045460 0.82 ALDH1A1 (0.52) HSD17B10ALDH1A1KDM4EPOLBLMNA
SCHEMBL8185676 0.82 ALDH1A1 (0.46) HSD17B10ALDH1A1KDM4EPOLBLMNA
SCHEMBL8185679 0.82 ALDH1A1 (0.46) HSD17B10ALDH1A1KDM4EPOLBLMNA
SCHEMBL23045006 0.82 HSD17B10 (0.48) HSD17B10ALDH1A1KDM4ELMNANPC1
SCHEMBL9015804 0.81 THRA (0.53) HSD17B10ALDH1A1LMNANPC1RAB9A

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-6143208-A Optical element and compounds used in its manufacture ROLIC AG (CH) 2000-11-07 US disclosed
US-5335303-A Quasi-phased matched optical waveguide frequency conversion element having a ferroelectric liquid crystalline material exhibiting a periodic structure HOFFMANN-LA ROCHE INC. (US) 1994-08-02 US disclosed