SCHEMBL9340648

SCHEMBL9340648

CCCCCC[C@H](C)OC(=O)c1ccc(OC(=O)c2ccc(-c3ccc(OC(=O)[C@H](C)OCCC)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 3/20 0.43
NFKB1 P19838 3/20 0.43
NFKB2 Q00653 3/20 0.43
RELA Q04206 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 7/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RARB P10826 3/20 0.41
PRSS1 P07477 1/20 0.39
ACR P10323 1/20 0.39

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
SCHEMBL9340816 1.00 TSHR (0.44) TSHRSMN1; SMN2NPC1LMNANFKB1
SCHEMBL9340850 1.00 TSHR (0.44) TSHRSMN1; SMN2NPC1LMNANFKB1
SCHEMBL9340651 1.00 TSHR (0.44) TSHRSMN1; SMN2NPC1LMNANFKB1
SCHEMBL9340823 1.00 TSHR (0.44) TSHRSMN1; SMN2NPC1LMNANFKB1
SCHEMBL9340843 1.00 TSHR (0.44) TSHRSMN1; SMN2NPC1LMNANFKB1
SCHEMBL14802211 1.00 TSHR (0.44) TSHRSMN1; SMN2NPC1LMNANFKB1
SCHEMBL10476833 0.92 SMN1; SMN2 (0.43) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL10614078 0.92 SMN1; SMN2 (0.43) SMN1; SMN2NPC1LMNANFKB1NFKB2
SCHEMBL6872017 0.89 ALDH1A1 (0.52) TSHRSMN1; SMN2NPC1LMNANFKB1
SCHEMBL6872611 0.89 ALDH1A1 (0.52) TSHRSMN1; SMN2NPC1LMNANFKB1

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
JP-1211552-A None JP disclosed
US-5324451-A Excellent response and memory DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-06-28 US disclosed
EP-0329153-B1 NOVEL LACTIC ACID DERIVATIVES AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-10-21 EP disclosed
JP-H01211552-A LIQUID CRYSTAL COMPOUND INDUCING EXTREMELY LARGE SPONTANEOUS POLARIZATION DAINIPPON INK & CHEM INC 1989-08-24 JP disclosed