SCHEMBL9879247

SCHEMBL9879247

C=CCCCCOc1ccc(C(=O)Oc2ccc(OCCCC)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.63
NPC1 O15118 3/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
NFKB1 P19838 3/20 0.61
NFKB2 Q00653 3/20 0.61
RELA Q04206 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
PRSS1 P07477 1/20 0.59
ACR P10323 1/20 0.59
ALDH1A1 P00352 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 2/20 0.58
MAPT P10636 2/20 0.58
TSHR P16473 2/20 0.53
POLB P06746 1/20 0.53
TP53 P04637 1/20 0.52

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
SCHEMBL9877910 0.99 LMNA (0.64) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9879322 0.99 LMNA (0.64) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9879026 0.99 LMNA (0.64) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9878895 0.99 LMNA (0.65) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9877743 0.99 LMNA (0.64) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9877914 0.99 LMNA (0.64) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9878762 0.99 LMNA (0.64) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9878488 0.97 NPC1 (0.66) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9879238 0.97 NPC1 (0.66) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9878136 0.97 NPC1 (0.66) LMNANPC1CYP1A2CYP2C9CYP2C19

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-5013476-A Ferroelectric properties, electro-optical indicating device HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed