SCHEMBL9802965

SCHEMBL9802965

CCOc1ccc(-c2ccc(OC(=O)C(Cl)C(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
PTGS2 P35354 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
PARP10 Q53GL7 1/20 0.42
NQO1 P15559 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL8346993 0.89 ELANE (0.47) KMT2ALMNAMAPTGAAMEN1
SCHEMBL8346992 0.89 ELANE (0.47) KMT2ALMNAMAPTGAAMEN1
SCHEMBL9803518 0.88 ACACB (0.45) ACACBACACAPTGS2NPSR1KMT2A
SCHEMBL9803370 0.88 RARB (0.50) ACACBNPSR1LMNACYP1A2CYP3A4
SCHEMBL9803470 0.88 ACACB (0.49) ACACBACACANPSR1KMT2ALMNA
SCHEMBL9802899 0.86 RARB (0.55) NPSR1LMNAMAPTCYP1A2CYP3A4
SCHEMBL9803745 0.85 RARB (0.57) LMNAMAPT
SCHEMBL9803335 0.85 RARB (0.57) LMNAMAPT
SCHEMBL9803381 0.85 RARB (0.57) LMNAMAPT
SCHEMBL9802862 0.85 RARB (0.57) LMNAMAPT

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-0159872-B1 SMECTIC LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITIONS AJINOMOTO CO., INC. (JP) 1991-03-06 EP disclosed
US-4592858-A HIGH SPEED FERROELECTRIC SWITCHES AJINOMOTO COMPANY, INC. (JP) 1986-06-03 US disclosed
EP-0159872-A2 Smectic liquid crystal compound and liquid crystal compositions AJINOMOTO CO., INC. (JP) 1985-10-30 EP disclosed