SCHEMBL9724792

SCHEMBL9724792

CC(C)CCC(=O)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
CYP1A2 P05177 1/20 0.50
GAA P10253 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RARB P10826 1/20 0.46
ASAH1 Q13510 1/20 0.45
ELANE P08246 1/20 0.44
MEN1 O00255 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43

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
SCHEMBL666850 0.90 ALDH1A1 (0.48) MAPTNPC1RAB9AKMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL28310523 0.88 ALDH1A1 (0.47) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL2636796 0.83 ALDH1A1 (0.43) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL9581015 0.81 BCL9 (0.57) MAPTCYP1A2GAACYP2C9PKM
SCHEMBL14984015 0.81 EGFR (0.54) MAPTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL7871803 0.81 ALDH1A1 (0.48) MAPTSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL9625174 0.81 HDAC1 (0.40) MAPTCYP1A2GAACYP2C9PKM
SCHEMBL27733707 0.80 TDP1 (0.51) MAPTGAASMN1; SMN2KMT2AALDH1A1
SCHEMBL2170541 0.80 PRSS1 (0.51) MAPTPKMKMT2AALDH1A1LMNA
SCHEMBL27934961 0.79 ALDH1A1 (0.43) MAPTGAAKMT2AALDH1A1LMNA

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