SCHEMBL8747404

SCHEMBL8747404

CC(CC(F)C(C)O)OC(=O)c1cc[c]cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAPT P10636 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL8747359 0.85 TSHR (0.36) MEN1KMT2ACA12CA1CA2
SCHEMBL8747402 0.77 TSHR (0.35) KMT2ALMNACYP1A2CYP2D6POLB
SCHEMBL6945710 0.77 CA12 (0.43) MEN1KMT2ACA12CA1CA2
SCHEMBL8387876 0.77 CA12 (0.46) MEN1KMT2ACA12CA1CA2
SCHEMBL10700181 0.76 CA12 (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL129051 0.75 CA12 (0.62) MEN1KMT2ACA12CA1CA2
SCHEMBL10448638 0.74 TSHR (0.43) MEN1KMT2ACA12CA1CA2
SCHEMBL7859273 0.73 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL1142449 0.72 LMNA (0.52) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL4577004 0.72 LMNA (0.52) LMNACYP1A2CYP2D6POLBSCN1A

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-0585032-B1 Anti-ferroelectric liquid crystal and liquid crystal display device MITSUBISHI GAS CHEMICAL CO (JP) 1997-03-05 EP disclosed
US-5340498-A High speed response MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-08-23 US disclosed
EP-0585032-A1 Anti-ferroelectric liquid crystal and liquid crystal display device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-03-02 EP disclosed