SCHEMBL6564029

SCHEMBL6564029

CCCc1ccc(-c2ccc(C(=O)O)cc2)c(-c2ccc(C(=O)O[C@H](C)CC(CC)CC)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RARB P10826 8/20 0.41
FOLH1 Q04609 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
RARA P10276 1/20 0.39
MTOR P42345 1/20 0.39
KMT2A Q03164 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
SRD5A2 P31213 1/20 0.38
PTPN11 Q06124 1/20 0.37

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
SCHEMBL6547284 0.89 MAPT (0.44) RARBFOLH1CYP4F2CYP4A11MAPT
SCHEMBL6562354 0.88 RARB (0.41) NPC1TP53RAB9ASMN1; SMN2RARB
SCHEMBL6547277 0.87 MAPT (0.42) RARBFOLH1CYP4F2CYP4A11MAPT
SCHEMBL7526394 0.85 PDCD1 (0.38) NPC1SMN1; SMN2RARBCYP4F2CYP4A11
SCHEMBL6563516 0.85 PDCD1 (0.48) RARBMAPTRXRARXRBHCRTR1
SCHEMBL6562073 0.85 CYP4F2 (0.48) SMN1; SMN2RARBCYP4F2CYP4A11MAPT
SCHEMBL6563509 0.84 PDCD1 (0.48) MAPTALDH1A1MEN1KMT2ARXRA
SCHEMBL6563502 0.84 PDCD1 (0.48) MAPTALDH1A1MEN1KMT2ARXRA
SCHEMBL6390329 0.83 ALDH1A1 (0.46) RARBMAPTALDH1A1MEN1RARA
SCHEMBL6388182 0.83 ALDH1A1 (0.46) RARBMAPTALDH1A1MEN1RARA

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