SCHEMBL10620366

SCHEMBL10620366

CCCCCCCCCCOc1cnc(-c2ccc(OC(=O)[C@@H](C)CCCC)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.48
▸ NPC1 O15118 8/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ LMNA P02545 4/20 0.47
▸ NFKB1 P19838 3/20 0.47
▸ NFKB2 Q00653 3/20 0.47
▸ RELA Q04206 3/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ ALDH1A1 P00352 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
SCHEMBL10620373 1.00 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9358050 0.97 RARB (0.50) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9840242 0.95 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9840410 0.95 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9839619 0.95 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL10720759 0.95 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9840878 0.95 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9839787 0.94 NPC1 (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL7090897 0.93 RARB (0.52) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL10346221 0.92 RARB (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63063664-A — — None — — JP disclosed
JP-S6363664-A ALPHA-METHYLCARBOXYLIC ACID PHENYL ESTER DERIVATIVE TEIKOKU CHEM IND CORP LTD 1988-03-22 — — JP disclosed
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