SCHEMBL9724772

SCHEMBL9724772

CCCCCCCCC(=O)Oc1ccc(C(=O)Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
ALOX15 P16050 1/20 0.50
TOP2A P11388 2/20 0.46
POLM Q9NP87 1/20 0.44
POLK Q9UBT6 1/20 0.44
POLL Q9UGP5 1/20 0.44
POLH Q9Y253 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL11702512 0.99 ALOX15 (0.51) THRATHRBALOX15TOP2APOLM
SCHEMBL9440210 0.89 THRA (0.53) THRATHRBALOX15TOP2AKMT2A
Hydrochloric Acid SCHEMBL9724775 0.88 THRA (0.52) THRATHRBALOX15TOP2AKMT2A
SCHEMBL27765388 0.83 MAPT (0.57) ALOX15TOP2AMAPTKMT2ANPC1
SCHEMBL9626722 0.82 THRA (0.67) THRATHRBALDH1A1TDP1L3MBTL1
SCHEMBL9307742 0.82 THRA (0.67) THRATHRBALDH1A1TDP1L3MBTL1
SCHEMBL9578543 0.82 THRA (0.67) THRATHRBALDH1A1TDP1L3MBTL1
SCHEMBL11321553 0.82 THRA (0.67) THRATHRBALDH1A1TDP1L3MBTL1
SCHEMBL9626799 0.82 THRA (0.67) THRATHRBALDH1A1TDP1L3MBTL1
SCHEMBL11315387 0.82 THRA (0.67) THRATHRBALDH1A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5100579-A POLYPHENYL-BASED ESTER COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING SAME AJINOMOTO CO., INC. (JP) 1992-03-31 US disclosed
EP-0191600-B1 POLYPHENYL-BASED ESTER COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING SAME AJINOMOTO CO., INC. (JP) 1991-12-27 EP disclosed
US-4911861-A Mixture of at least two components AJINOMOTO CO., INC. (JP) 1990-03-27 US disclosed
US-4728458-A FERROELECTRIC AJINOMOTO CO., LTD. (JP) 1988-03-01 US disclosed
EP-0191600-A2 Polyphenyl-based ester compounds and liquid crystal compositions containing same AJINOMOTO CO., INC. (JP) 1986-08-20 EP disclosed