SCHEMBL10600396

SCHEMBL10600396

CCCCCc1ccc2cc(C(=O)Cl)ccc2c1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.53
THRB P10828 7/20 0.53
GRIN2D O15399 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
RARB P10826 5/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
RARA P10276 1/20 0.49
MAPT P10636 1/20 0.49
MTOR P42345 1/20 0.49
KAT8 Q9H7Z6 2/20 0.47
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL8152604 0.98 THRA (0.55) THRATHRBGRIN2DGRIN2AGRIN2B
SCHEMBL10600377 0.98 THRA (0.55) THRATHRBGRIN2DGRIN2AGRIN2B
SCHEMBL10081274 0.86 GRIN2D (0.68) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL8303752 0.84 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL2403600 0.84 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL7342564 0.84 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL7331987 0.84 GRIN2D (0.67) GRIN2DGRIN2AGRIN2BGRIN2CRARB
SCHEMBL12065208 0.84 THRA (0.73) THRATHRBGRIN2DGRIN2AGRIN2B
SCHEMBL158152 0.83 THRA (0.67) THRATHRBRARBMEN1KMT2A
Hydrochloric Acid SCHEMBL10716592 0.83 GRIN2D (0.65) GRIN2DGRIN2AGRIN2BGRIN2CRARB

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-0205340-B1 LIQUID CRYSTAL ESTER COMPOUND Chisso Corporation (JP) 1989-01-11 EP disclosed
US-4680137-A Liquid crystal ester compound CHISSO CORPORATION (JP) 1987-07-14 US disclosed
EP-0205340-A1 Liquid crystal ester compound Chisso Corporation (JP) 1986-12-17 EP disclosed