SCHEMBL10427130

SCHEMBL10427130

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.52
▸ NPC1 O15118 8/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ LMNA P02545 4/20 0.48
▸ NFKB1 P19838 3/20 0.48
▸ NFKB2 Q00653 3/20 0.48
▸ RELA Q04206 3/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ 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
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL10427086 0.96 RARB (0.52) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL7090897 0.96 RARB (0.52) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL10427335 0.96 RARB (0.52) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL10427334 0.96 RARB (0.52) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9840242 0.93 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9839619 0.93 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9840410 0.93 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9840878 0.93 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL10720759 0.93 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL7093920 0.93 RARB (0.50) RARBNPC1SMN1; SMN2LMNANFKB1

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
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