SCHEMBL6560933

SCHEMBL6560933

CCCCCc1ccc(C(=O)Oc2ccc(-c3ccc(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 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RARB P10826 8/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RARA P10276 1/20 0.47
MTOR P42345 1/20 0.47
KMT2A Q03164 1/20 0.47
THRB P10828 4/20 0.45
THRA P10827 1/20 0.44
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL6563854 0.97 MAPT (0.47) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL6564025 0.92 MAPT (0.52) MAPTSMN1; SMN2RARBALDH1A1KMT2A
SCHEMBL6562379 0.92 MAPT (0.52) MAPTSMN1; SMN2RARBALDH1A1KMT2A
SCHEMBL6388175 0.89 TSHR (0.45) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL6390324 0.89 TSHR (0.45) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL6561998 0.89 TP53 (0.46) MAPTSMN1; SMN2ALDH1A1KMT2ATHRB
SCHEMBL6547272 0.89 PDCD1 (0.44) MAPTSMN1; SMN2ALDH1A1KMT2ATHRB
SCHEMBL9165950 0.87 MAPT (0.53) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL8769713 0.87 MAPT (0.53) MAPTSMN1; SMN2RARBMEN1ALDH1A1
SCHEMBL14525678 0.87 MAPT (0.53) MAPTSMN1; SMN2RARBMEN1ALDH1A1

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 4 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
US-20020146517-A1 Optically active compound and liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. 2002-10-10 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