SCHEMBL7874489

SCHEMBL7874489

COc1ccc(C(c2ccccc2)c2ccc(OCCCC(=O)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
ALDH1A1 P00352 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
FFAR1 O14842 3/20 0.53
FFAR4 Q5NUL3 3/20 0.53
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
TSHR P16473 1/20 0.52
ESR1 P03372 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
SCHEMBL8029095 0.86 PDE4B (0.64) GAAALDH1A1NPSR1MEN1NPC1
SCHEMBL9321566 0.85 GAA (0.54) GAAALDH1A1NPSR1MAPTFFAR1
Hydrochloric Acid SCHEMBL8981950 0.85 PDE4B (0.62) GAAALDH1A1NPSR1MEN1NPC1
SCHEMBL2526272 0.84 GAA (0.53) GAAALDH1A1NPSR1MAPTFFAR1
SCHEMBL7874508 0.84 ALOX15 (0.58) GAAALDH1A1NPSR1MEN1MAPT
SCHEMBL15176983 0.81 PPARA (0.65) GAAMAPTFFAR1FFAR4PPARA
Mequinol SCHEMBL10533614 0.80 PDE4B (0.57) GAAMAPTFFAR1FFAR4ESR1
SCHEMBL6438736 0.80 FFAR1 (0.51) GAAFFAR1FFAR4ESR1PPARA
SCHEMBL12065365 0.80 HDAC1 (0.53) GAAALDH1A1MAPTRAB9ATSHR
SCHEMBL1801957 0.80 PPARA (0.68) ALDH1A1MAPTFFAR1FFAR4PPARA

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
US-6316595-B1 PNA synthesis using a base-labile amino protecting group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-13 US disclosed
US-6121418-A PNA synthesis using a base-labile amino protecting group HOECHST AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed