SCHEMBL9358050

SCHEMBL9358050

CCCCCC[C@H](C)C(=O)Oc1ccc(-c2ccc(-c3ncc(OCCCCC)cn3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.50
▸ NPC1 O15118 8/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ LMNA P02545 4/20 0.46
▸ NFKB1 P19838 3/20 0.46
▸ NFKB2 Q00653 3/20 0.46
▸ RELA Q04206 3/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ 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 0.44
▸ TSHR P16473 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL10620366 0.97 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL10620373 0.97 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL10427334 0.94 RARB (0.52) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL10427335 0.94 RARB (0.52) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL10427086 0.94 RARB (0.52) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9840242 0.94 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9839619 0.94 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL10720759 0.94 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9840878 0.94 RARB (0.48) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL9840410 0.94 RARB (0.48) 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
EP-0289270-B1 Optically active 2-biphenylpyrimidine derivatives and liquid crystal compositions containing them CHISSO CORP (JP) 1994-12-14 — — EP disclosed
Send feedback