SCHEMBL8914072

SCHEMBL8914072

C=CCCc1ccc(C(=O)Oc2ccc(OCCCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
NPC1 O15118 4/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
PRSS1 P07477 1/20 0.55
ACR P10323 1/20 0.55
MAPT P10636 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
KMT2A Q03164 3/20 0.54
NFKB1 P19838 3/20 0.54
NFKB2 Q00653 3/20 0.54
RELA Q04206 3/20 0.54
THRB P10828 4/20 0.52
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TSHR P16473 1/20 0.50
POLB P06746 1/20 0.47

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
SCHEMBL8912271 0.96 NPC1 (0.60) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL8914345 0.95 MAPT (0.58) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL8912760 0.92 THRB (0.58) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL1925571 0.90 THRB (0.57) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL20628415 0.89 LMNA (0.60) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL8913348 0.89 THRB (0.61) NPC1PRSS1ACRMAPTSMN1; SMN2
SCHEMBL8913503 0.89 NPC1 (0.58) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9878869 0.88 MAPT (0.55) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL9879247 0.88 LMNA (0.63) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL18540053 0.88 THRB (0.49) NPC1PRSS1MAPTSMN1; SMN2KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35462-E Silylated benzoic acid derivatives CONSORTIUM FUR ELEKOCHEMISCHE IND. GMBH (DE) 1997-02-25 US disclosed
US-5277838-A Silylated benzoic acid derivatives CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-01-11 US disclosed
US-5106530-A Liquid crystals Consortium Fur Elektrochemische Ind. (DE) 1992-04-21 US disclosed