SCHEMBL9256985

SCHEMBL9256985

N#Cc1ccc(C(=O)O)c(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 8/20 0.56
XDH P47989 8/20 0.56
PTGDR2 Q9Y5Y4 1/20 0.56
HTT P42858 1/20 0.47
PTPN1 P18031 1/20 0.45
HNF4A P41235 2/20 0.43
ACMSD Q8TDX5 1/20 0.43

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
SCHEMBL29038974 0.91 SLC22A12 (0.54) SLC22A12XDHPTGDR2
SCHEMBL20520098 0.86 FOLH1 (0.53) SLC22A12XDHPTGDR2HTTPTPN1
SCHEMBL11525125 0.84 PTGDR2 (0.51) SLC22A12XDHPTGDR2
SCHEMBL9341217 0.83 PTGDR2 (0.50) SLC22A12XDHPTGDR2HTT
SCHEMBL25309551 0.82 XDH (0.46) SLC22A12XDHPTGDR2HTT
SCHEMBL6201606 0.82 XDH (0.46) SLC22A12XDH
SCHEMBL6164290 0.81 BRS3 (0.57) SLC22A12XDHHTTHNF4A
SCHEMBL5085509 0.80 SLC22A12 (0.61) SLC22A12XDHPTGDR2HTTHNF4A
SCHEMBL27307967 0.80 SLC22A12 (0.48) SLC22A12XDH
SCHEMBL11805019 0.79 BRS3 (0.56) SLC22A12XDHHNF4A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4082428-A AROMATIC ESTERS SUNCRUX INCORPORATED (US) 1978-04-04 US claimed
JP-54085191-A None JP disclosed
US-5473068-A Photochromic spirooxazine monomers and polysiloxanes YEDA RESEARCH AND DEVELOPMENT CO. LTD. AT THE WEIZMANN INSTITUTE OF SCIENCE (IL) 1995-12-05 US disclosed
US-5322945-A Photochromic spirooxazine monomers and polysiloxanes YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1994-06-21 US disclosed
WO-1993003073-A1 AZO POLYMERS FOR REVERSIBLE OPTICAL STORAGE QUEEN'S UNIVERSITY AT KINGSTON (CA) 1993-02-18 WO disclosed
US-5173381-A Azo polymers for reversible optical storage QUEEN'S UNIVERSITY (CA) 1992-12-22 US disclosed
JP-S5485191-A LIQUID CRYSTAL COMPOSITION SHARP CORP 1979-07-06 JP disclosed