SCHEMBL10427263

SCHEMBL10427263

CCCCCCCCOc1ccc(-c2ncc(-c3ccc(OC(=O)CCC(C)CCCCCCC)cc3)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.49
NPC1 O15118 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
LMNA P02545 3/20 0.46
RAB9A P51151 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL10427142 1.00 RARB (0.49) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10427085 0.98 RARB (0.49) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10427122 0.98 RARB (0.49) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10427344 0.96 RARB (0.49) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10427508 0.96 RARB (0.49) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10427428 0.96 RARB (0.49) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10427133 0.96 RARB (0.49) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10427337 0.96 RARB (0.49) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10427088 0.96 RARB (0.49) RARBNPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10427355 0.96 RARB (0.49) 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