SCHEMBL9019916

SCHEMBL9019916

COC=C(C(=O)OC)c1cccc(CN(C)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 1/20 0.40
SENP1 Q9P0U3 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CETP P11597 1/20 0.39
PPARA Q07869 2/20 0.39
PTPN1 P18031 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
MEP1B Q16820 2/20 0.38
FFAR1 O14842 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38

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
SCHEMBL9433060 0.90 KMT2A (0.43) KMT2AL3MBTL1MEN1HDAC3HDAC1
SCHEMBL9432454 0.81 LOXL2 (0.43) L3MBTL1KDM4ESMN1; SMN2TDP1ALDH1A1
SCHEMBL9019901 0.81 LOXL2 (0.43) L3MBTL1KDM4ESMN1; SMN2TDP1ALDH1A1
SCHEMBL7169217 0.77 HPGD (0.36) KDM4EALDH1A1
SCHEMBL7169218 0.77 HPGD (0.36) KDM4EALDH1A1
SCHEMBL2997336 0.76 SMN1; SMN2 (0.54) KMT2AL3MBTL1MEN1KDM4ESMN1; SMN2
SCHEMBL2812354 0.76 SMN1; SMN2 (0.54) KMT2AL3MBTL1MEN1KDM4ESMN1; SMN2
SCHEMBL2812357 0.76 SMN1; SMN2 (0.54) KMT2AL3MBTL1MEN1KDM4ESMN1; SMN2
SCHEMBL6945998 0.74 PTPN1 (0.67) KMT2AL3MBTL1MEN1HDAC3HDAC1
SCHEMBL9019942 0.72 KDM4E (0.46) KMT2AL3MBTL1MEN1KDM4ESMN1; SMN2

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
EP-0422597-B1 Derivatives of phenylacetic acid and fungicides containing them BASF AG (DE) 1996-07-24 EP disclosed
EP-0422597-A2 Derivatives of phenylacetic acid and fungicides containing them BASF Aktiengesellschaft (DE) 1991-04-17 EP disclosed