SCHEMBL6417850

SCHEMBL6417850

CCCCCc1ccc(C(=O)Oc2cc(C#N)ccc2-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP19A1 P11511 2/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RARA P10276 1/20 0.43
MAPT P10636 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 1/20 0.41
KDM1A O60341 1/20 0.41

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
SCHEMBL6416735 0.99 RARB (0.49) RARBTSHRHSD17B10CYP19A1CYP11B1
SCHEMBL6411902 0.88 PTGDR2 (0.48) RARBTSHRPTGDR2ALDH1A1MAPT
SCHEMBL6414038 0.88 TSHR (0.43) RARBTSHRHSD17B10CYP19A1CYP11B1
SCHEMBL8912688 0.88 CYP19A1 (0.45) RARBCYP19A1CYP11B1CYP11B2PTGDR2
SCHEMBL8912832 0.88 CYP19A1 (0.45) RARBCYP19A1CYP11B1CYP11B2PTGDR2
SCHEMBL6419039 0.88 TSHR (0.45) RARBTSHRHSD17B10CYP19A1CYP11B1
SCHEMBL6412315 0.88 PTPN11 (0.49) RARBTSHRPTGDR2ALDH1A1MAPT
SCHEMBL8914877 0.87 PTGDR2 (0.44) CYP19A1CYP11B1CYP11B2PTGDR2MEN1
SCHEMBL8914352 0.85 CYP19A1 (0.44) CYP19A1CYP11B1CYP11B2PTGDR2MEN1
SCHEMBL8913874 0.84 CYP11B1 (0.43) CYP19A1CYP11B1CYP11B2PTGDR2KDM1A

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-20050194569-A1 Compound based on liquid crystals for making optoelectronic components and corresponding manufacturing process OPTOGONE (FR) 2005-09-08 US disclosed