SCHEMBL8845375

SCHEMBL8845375

Cc1cc(CCCC(=O)CNC(=O)O)cc(C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
HPGD P15428 1/20 0.36
RAB9A P51151 4/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.35
PKM P14618 2/20 0.35
HTT P42858 1/20 0.35
POLB P06746 3/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PLAAT3 P53816 1/20 0.33
PLAAT5 Q96KN8 1/20 0.33
PLAAT2 Q9NWW9 1/20 0.33
PLAAT4 Q9UL19 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9622672 0.76 KDM4E (0.42) KDM4ERAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL29757496 0.76 KDM4E (0.36) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL922026 0.76 KDM4E (0.36) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL8840533 0.74 KDM4E (0.37) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL16961382 0.71 HTT (0.46) KDM4EHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL101014 0.70 KDM4E (0.41) KDM4EHPGDLMNAPOLBALDH1A1
SCHEMBL3366219 0.69 KDM4E (0.33) KDM4EHTTALDH1A1
SCHEMBL15787178 0.68 MAOA (0.38) KDM4EHTTALDH1A1
SCHEMBL6747628 0.68 SMN1; SMN2 (0.43) KDM4ERAB9ANPC1SMN1; SMN2LMNA
SCHEMBL8845372 0.68 KDM4E (0.38) KDM4EHTTPOLBALDH1A1CYP2D6

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
US-5595992-A Substituted pyridines and pyrimidines, processes for their preparation and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-01-21 US disclosed