SCHEMBL8050434

SCHEMBL8050434

O=C(O)c1ccc(CCc2cc(F)c(F)c(F)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
RARB P10826 7/20 0.46
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
SELE P16581 1/20 0.44
MAOB P27338 1/20 0.44
PPARA Q07869 1/20 0.44
NR4A2 P43354 1/20 0.44
MEN1 O00255 1/20 0.44
RARA P10276 1/20 0.44
MAPT P10636 1/20 0.44
MTOR P42345 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42

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
SCHEMBL28232762 0.86 ALDH1A1 (0.44) ALDH1A1RARBTP53TSHRPPARA
SCHEMBL27661246 0.82 KDM4E (0.62) ALDH1A1RARBSELLSELPSELE
SCHEMBL70166 0.82 TSHR (0.67) ALDH1A1RARBTP53TSHRPPARA
Terephthalic Acid SCHEMBL4612225 0.82 TSHR (0.67) ALDH1A1RARBTP53TSHRPPARA
SCHEMBL29373779 0.80 BCL2L1 (0.65) ALDH1A1RARBTP53TSHRNR4A2
SCHEMBL12243325 0.80 BCL2L1 (0.65) ALDH1A1RARBTP53TSHRNR4A2
Hydrochloric Acid SCHEMBL7132238 0.80 TSHR (0.63) ALDH1A1RARBTP53TSHRPPARA
SCHEMBL28138561 0.76 DAO (0.44) MAOBPPARACES2CES1
SCHEMBL7734826 0.76 LTA4H (0.61) ALDH1A1TP53KMT2AKDM4ELMNA
SCHEMBL16687966 0.76 ALDH1A1 (0.54) ALDH1A1RARBTP53TSHRPPARA

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
EP-0700982-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-04-26 EP disclosed
EP-0700982-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-03-13 EP disclosed