SCHEMBL7758448

SCHEMBL7758448

CCCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)O[C@H](C)CCC(CC)CC)c(F)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.45
NPC1 O15118 3/20 0.44
LMNA P02545 3/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RARA P10276 1/20 0.44
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
PTPN11 Q06124 1/20 0.40
PLA2G4B P0C869 4/20 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
SCHEMBL7758442 1.00 RARB (0.45) RARBNPC1LMNANFKB1NFKB2
SCHEMBL7756681 0.93 TSHR (0.47) RARBNPC1LMNANFKB1NFKB2
SCHEMBL7758468 0.93 TSHR (0.47) RARBNPC1LMNANFKB1NFKB2
SCHEMBL7756718 0.93 TSHR (0.47) RARBNPC1LMNANFKB1NFKB2
SCHEMBL7756723 0.93 TSHR (0.47) RARBNPC1LMNANFKB1NFKB2
SCHEMBL7756682 0.93 TSHR (0.47) RARBNPC1LMNANFKB1NFKB2
SCHEMBL7758471 0.93 TSHR (0.47) RARBNPC1LMNANFKB1NFKB2
SCHEMBL8609010 0.93 RARB (0.48) RARBNPC1LMNANFKB1NFKB2
SCHEMBL10633030 0.93 RARB (0.48) RARBNPC1LMNANFKB1NFKB2
SCHEMBL8608309 0.93 RARB (0.48) RARBNPC1LMNANFKB1NFKB2

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-0893429-B1 Ferrielectric liquid crystal compound MITSUBISHI GAS CHEMICAL CO (JP) 2001-03-07 EP disclosed
US-5972243-A FOR USE IN AN ACTIVE MATRIX-TYPE LIQUID CRYSTAL DISPLAY DEVICE IN WHICH EACH PIXEL IS INDIVIDUALLY DRIVEN BY THIN FILM TRANSISTOR OR METAL INSULATOR METAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-10-26 US disclosed
EP-0893429-A1 Ferrielectric liquid crystal compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-01-27 EP disclosed