SCHEMBL9724823

SCHEMBL9724823

CC(C)[C@H](Cl)C(=O)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
ELANE P08246 3/20 0.51
HSD17B10 Q99714 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.45
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
SRD5A2 P31213 2/20 0.41
RARB P10826 1/20 0.41
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
HTT P42858 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9724826 1.00 KMT2A (0.53) KMT2AELANEHSD17B10CA1CA2
SCHEMBL9724876 0.95 HSD17B10 (0.58) KMT2AELANEHSD17B10CA1CA2
SCHEMBL9724878 0.95 HSD17B10 (0.58) KMT2AELANEHSD17B10CA1CA2
SCHEMBL9724914 0.86 ELANE (0.51) KMT2AELANEHSD17B10MAPTPARP10
SCHEMBL9724919 0.86 ELANE (0.51) KMT2AELANEHSD17B10MAPTPARP10
SCHEMBL9405577 0.84 MAPT (0.51) KMT2AELANEHSD17B10CA1CA2
SCHEMBL9405580 0.84 MAPT (0.51) KMT2AELANEHSD17B10CA1CA2
SCHEMBL8346993 0.84 ELANE (0.47) KMT2AELANEHSD17B10MAPTPKM
SCHEMBL8346992 0.84 ELANE (0.47) KMT2AELANEHSD17B10MAPTPKM
SCHEMBL11991232 0.82 KMT2A (0.56) KMT2AELANEHSD17B10CA1CA2

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 6 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-4961876-A OPTO-ELECTRONIC DISPLAY VEB WERK FUER FERNSEHELEKTRONIK IM VEB KOMBINAT MIKROELEKTRONIK (DD) 1990-10-09 US 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