SCHEMBL11295659

SCHEMBL11295659

CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(OCCC)cc3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.52
▸ NPC1 O15118 3/20 0.52
▸ CYP2C9 P11712 3/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ NFKB1 P19838 3/20 0.51
▸ NFKB2 Q00653 3/20 0.51
▸ RELA Q04206 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ PRSS1 P07477 1/20 0.49
▸ ACR P10323 1/20 0.49
▸ RAB9A P51151 1/20 0.48
▸ MAPT P10636 4/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ TSHR P16473 2/20 0.45
▸ L3MBTL1 Q9Y468 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
SCHEMBL11295665 1.00 LMNA (0.52) LMNANPC1CYP2C9CYP1A2CYP2C19
SCHEMBL11416416 0.99 LMNA (0.53) LMNANPC1CYP2C9CYP1A2CYP2C19
SCHEMBL11407335 0.99 LMNA (0.53) LMNANPC1CYP2C9CYP1A2CYP2C19
SCHEMBL11411707 0.99 LMNA (0.53) LMNANPC1CYP2C9CYP1A2CYP2C19
SCHEMBL11406368 0.98 LMNA (0.54) LMNANPC1CYP2C9CYP1A2CYP2C19
SCHEMBL11423075 0.97 LMNA (0.55) LMNANPC1CYP2C9CYP1A2CYP2C19
SCHEMBL9589714 0.97 LMNA (0.53) LMNANPC1CYP2C9CYP1A2CYP2C19
SCHEMBL9592320 0.97 LMNA (0.53) LMNANPC1CYP2C9CYP1A2CYP2C19
SCHEMBL11403789 0.97 LMNA (0.55) LMNANPC1CYP2C9CYP1A2CYP2C19
SCHEMBL11404654 0.97 PRSS1 (0.53) LMNANPC1CYP2C9CYP1A2CYP2C19

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-57007448-A — — None — — JP disclosed
JP-S577448-A LIQUID CRYSTAL ESTER AND ITS PRODUCTION SEIKO EPSON CORP 1982-01-14 — — JP disclosed
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