SCHEMBL9733700

SCHEMBL9733700

CCCCCCCCCCCCCCCCCCc1ncc(-c2ccc(C(=O)O)cc2)cn1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 12/20 0.66
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
RARA P10276 1/20 0.66
MAPT P10636 1/20 0.66
MTOR P42345 1/20 0.66
KMT2A Q03164 1/20 0.66
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
TP53 P04637 2/20 0.51
TSHR P16473 1/20 0.51
PTPN11 Q06124 1/20 0.51
PLA2G4B P0C869 1/20 0.50

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
SCHEMBL5572514 0.84 RARB (0.55) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL8164770 0.84 RARB (0.64) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL28261663 0.82 RARB (0.53) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL10743226 0.81 MAPT (0.57) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL8875432 0.81 MAPT (0.57) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL8595854 0.80 SMN1; SMN2 (0.83) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL23484727 0.80 RARB (1.00) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL7542464 0.80 RARB (1.00) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL11113720 0.80 RARB (1.00) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL8533917 0.80 RARB (1.00) RARBMEN1ALDH1A1RARAMAPT

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-5118442-A Photochemical stability; low temperature range; rapid response MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-06-02 US disclosed
EP-0410142-A2 Optically active liquid crystal compounds MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-01-30 EP disclosed