SCHEMBL6562311

SCHEMBL6562311

CCC[C@H]1CC[C@H](C(=O)Oc2ccc(-c3ccc(C(=O)O[C@H](C)CC(CC)CC)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.39
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
F2 P00734 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL6548286 0.89 ELANE (0.47) ELANETSHRKMT2AHTTSMN1; SMN2
SCHEMBL6548536 0.83 ELANE (0.44) ELANETSHRKMT2AHTTSMN1; SMN2
SCHEMBL6563876 0.83 CYP2C9 (0.50) TSHRKMT2ASMN1; SMN2L3MBTL1CYP2C9
SCHEMBL12036573 0.81 TSHR (0.42) ELANETSHRKMT2AHTTSMN1; SMN2
SCHEMBL6547272 0.80 PDCD1 (0.44) TSHRKMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10341104 0.80 TSHR (0.40) ELANETSHRKMT2AHTTSMN1; SMN2
SCHEMBL10341105 0.80 TSHR (0.40) ELANETSHRKMT2AHTTSMN1; SMN2
SCHEMBL6387977 0.78 HSD17B10 (0.50) ELANETSHRKMT2ASMN1; SMN2TDP1
SCHEMBL13135346 0.78 HTT (0.58) ELANEKMT2AHTTSMN1; SMN2TDP1
SCHEMBL6560993 0.77 KMT2A (0.44) ELANETSHRKMT2AHTTSMN1; SMN2

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