SCHEMBL10427445

SCHEMBL10427445

CCCCCCCOc1ccc(-c2ncc(-c3ccc(OC(=O)CC(C)CC)cc3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.51
NPC1 O15118 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NFKB1 P19838 3/20 0.47
NFKB2 Q00653 3/20 0.47
RELA Q04206 3/20 0.47
LMNA P02545 3/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ACACB O00763 1/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL10427463 1.00 RARB (0.51) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10427313 1.00 RARB (0.51) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9240678 0.93 RARB (0.47) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9239935 0.93 RARB (0.47) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9236456 0.93 RARB (0.47) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9240953 0.93 RARB (0.47) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9235921 0.93 RARB (0.47) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9236169 0.93 RARB (0.47) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9237795 0.93 RARB (0.47) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10427514 0.93 RARB (0.50) RARBNPC1SMN1; SMN2NFKB1NFKB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4900473-A Optically active alkanoyloxy 2,5-diphenyl pyrimidine and liquid crystal compositions CHISSO CORPORATION (JP) 1990-02-13 US disclosed