SCHEMBL6564025

SCHEMBL6564025

CCCc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)O[C@H](C)CC(CC)CC)cc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
THRB P10828 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
KMT2A Q03164 2/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PDCD1 Q15116 1/20 0.38

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
SCHEMBL6562379 1.00 MAPT (0.52) MAPTTHRBSMN1; SMN2KMT2APLA2G1B
SCHEMBL6563854 0.93 MAPT (0.47) MAPTTHRBSMN1; SMN2KMT2ACYP4F2
SCHEMBL6562073 0.93 CYP4F2 (0.48) MAPTTHRBSMN1; SMN2KMT2AACACB
SCHEMBL6560933 0.92 MAPT (0.52) MAPTTHRBSMN1; SMN2KMT2ATSHR
SCHEMBL6561998 0.92 TP53 (0.46) MAPTTHRBSMN1; SMN2KMT2ACYP4F2
SCHEMBL6547272 0.92 PDCD1 (0.44) MAPTTHRBSMN1; SMN2KMT2ATP53
SCHEMBL6549016 0.88 MAPT (0.47) MAPTKMT2ATSHRNPC1ALDH1A1
SCHEMBL6561968 0.87 PRSS1 (0.44) MAPTTHRBSMN1; SMN2KMT2ATSHR
SCHEMBL6562349 0.87 MAPT (0.42) MAPTTHRBSMN1; SMN2KMT2APLA2G1B
SCHEMBL6563522 0.86 MAPT (0.51) MAPTTHRBSMN1; SMN2KMT2AACACB

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-1225212-B1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL CO (JP) 2004-03-24 EP disclosed
US-6677475-B2 FOR USE IN LIQUID CRYSTAL DISPLAY DEVICE MITSUBISHI GAS CHEMICAL CO., INC. (JP) 2004-01-13 US disclosed
EP-1225212-A1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2002-07-24 EP disclosed