SCHEMBL7780455

SCHEMBL7780455

CCCCCCCCCCOc1ccc(C2C=CC(C(=O)O)(c3ccccc3C(=O)OC(C)CCCCCC)C=C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
PTPN11 Q06124 1/20 0.38
PLK1 P53350 1/20 0.38
TSHR P16473 3/20 0.37
TP53 P04637 1/20 0.37
PLA2G4B P0C869 1/20 0.36
FAAH O00519 6/20 0.36
LMNA P02545 1/20 0.35
RARB P10826 1/20 0.35

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
SCHEMBL9152938 1.00 ALDH1A1 (0.51) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL9615779 1.00 ALDH1A1 (0.51) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL7778259 1.00 ALDH1A1 (0.51) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL7773614 1.00 ALDH1A1 (0.51) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL9155386 0.98 ALDH1A1 (0.48) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL9157284 0.98 ALDH1A1 (0.48) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL9157438 0.98 ALDH1A1 (0.48) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL9155601 0.96 ALDH1A1 (0.46) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL9156615 0.96 ALDH1A1 (0.46) ALDH1A1PTPN11PLK1TSHRTP53
SCHEMBL9155967 0.96 ALDH1A1 (0.46) ALDH1A1PTPN11PLK1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745592-B1 Optically active pyrimidine derivatives and antiferroelectric liquid crystal compositions containing the same SEMICONDUCTOR ENERGY LAB (JP) 2001-09-19 EP disclosed
US-5667722-A Antiferroelectric liquid crystal compound and antiferroelectric liquid crystal composition containing the same TAKASAGO INTERNATIONAL CORPORATION (JP) 1997-09-16 US disclosed
EP-0745592-A1 Antiferroelectric liquid crystal compound and antiferroelectric liquid crystal composition containing the same Takasago International Corporation (JP) 1996-12-04 EP disclosed