SCHEMBL25398355

SCHEMBL25398355

CCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)C(O)c3ccccc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.59
▸ NPC1 O15118 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ NFKB1 P19838 3/20 0.59
▸ NFKB2 Q00653 3/20 0.59
▸ RELA Q04206 3/20 0.59
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ GAA P10253 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ TP53 P04637 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ PLA2G4B P0C869 2/20 0.53
▸ RARB P10826 3/20 0.51
▸ FAAH O00519 4/20 0.51
▸ PRSS1 P07477 1/20 0.51

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
SCHEMBL25398351 0.97 LMNA (0.58) LMNANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL8777459 0.97 LMNA (0.58) LMNANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL7845911 0.86 NPC1 (0.72) LMNANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL27949668 0.86 NPC1 (0.72) LMNANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10524079 0.86 NPC1 (0.72) LMNANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL5705987 0.86 NPC1 (0.72) LMNANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10608962 0.85 NPC1 (0.71) LMNANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9829760 0.85 NPC1 (0.72) LMNANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL15255112 0.85 LMNA (0.74) LMNANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9407176 0.85 LMNA (0.74) LMNANPC1SMN1; 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
WO-2023157453-A1 LIQUID CRYSTAL OPTICAL ELEMENT 日産自動車株式会社 2023-08-24 — — WO disclosed
Send feedback