SCHEMBL11276841

SCHEMBL11276841

COC(=O)C(C)(Br)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
KCNN4 O15554 1/20 0.44
ELANE P08246 1/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 3/20 0.41

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
SCHEMBL1676663 0.90 KCNN4 (0.50) NPC1MAPTKCNN4ELANECYP2C19
SCHEMBL9416372 0.85 PPARA (0.49) NPC1LMNAMAPTCASP3SENP8
SCHEMBL11276779 0.79 GAA (0.41) NPC1MAPTELANECYP1A2GAA
SCHEMBL11274148 0.79 PPARA (0.56) LMNAMAPTELANECYP2C9CYP2C19
SCHEMBL9416379 0.75 PPARA (0.65) LMNAMAPTCYP2C9CYP2C19CYP1A2
SCHEMBL10582932 0.74 PPARA (0.51) NPC1LMNAMAPTCASP3SENP8
SCHEMBL8667967 0.74 CYP2C9 (0.48) NPC1LMNAMAPTCASP3SENP8
SCHEMBL7288524 0.73 KCNN4 (0.52) LMNAMAPTKCNN4ELANECYP2C9
SCHEMBL7861289 0.72 NPC1 (0.43) NPC1LMNAMAPTCASP3SENP8
SCHEMBL8468475 0.72 KCNN4 (0.50) NPC1MAPTKCNN4ELANECYP2C19

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
EP-0044972-A1 Process for the preparation of compounds of 2-aryloxy-acrylic acid BASF Aktiengesellschaft (DE) 1982-02-03 EP disclosed