SCHEMBL9019901

SCHEMBL9019901

COC=C(C(=O)OC)c1cccc(CBr)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.43
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP13 P45452 1/20 0.39
SLC7A5 Q01650 1/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
MEP1B Q16820 4/20 0.38
HIF1A Q16665 1/20 0.37
MEP1A Q16819 2/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL9432454 1.00 LOXL2 (0.43) LOXL2CYP4F2CYP4A11SMN1; SMN2KDM4E
SCHEMBL9432459 0.88 LOXL2 (0.45) LOXL2CYP4F2CYP4A11SMN1; SMN2KDM4E
SCHEMBL9432412 0.82 CES2 (0.42) LOXL2CYP4F2CYP4A11SMN1; SMN2KDM4E
SCHEMBL8162297 0.82 CES2 (0.42) LOXL2CYP4F2CYP4A11SMN1; SMN2KDM4E
SCHEMBL9019916 0.81 KMT2A (0.41) LOXL2SMN1; SMN2KDM4ETDP1L3MBTL1
SCHEMBL9019942 0.79 KDM4E (0.46) SMN1; SMN2KDM4ETDP1L3MBTL1HPGD
SCHEMBL9334916 0.78 NPC1 (0.49) SMN1; SMN2KDM4ELMNARAB9ANPC1
SCHEMBL9334924 0.78 NPC1 (0.49) SMN1; SMN2KDM4ELMNARAB9ANPC1
SCHEMBL28212 0.77 LOXL2 (0.70) LOXL2CYP4F2CYP4A11SMN1; SMN2KDM4E
SCHEMBL29592260 0.77 LOXL2 (0.70) LOXL2CYP4F2CYP4A11SMN1; SMN2KDM4E

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
EP-0422597-B1 Derivatives of phenylacetic acid and fungicides containing them BASF AG (DE) 1996-07-24 EP disclosed
US-5286750-A For crops or ornamental plants BASF AKTIENGESELLSCHAFT (DE) 1994-02-15 US disclosed
EP-0422597-A2 Derivatives of phenylacetic acid and fungicides containing them BASF Aktiengesellschaft (DE) 1991-04-17 EP disclosed