SCHEMBL4724717

SCHEMBL4724717

[CH2]C(=O)c1ccc(C)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.54
RAB9A P51151 11/20 0.49
NPC1 O15118 7/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRB2 P47870 1/20 0.47
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL23070442 0.83 HPGD (0.53) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL336771 0.81 SMN1; SMN2 (0.63) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL670210 0.81 HPGD (0.51) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL845424 0.81 GABRA1 (0.53) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL10213485 0.80 ALDH1A1 (0.56) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2468939 0.79 NPC1 (0.55) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9542887 0.79 HPGD (0.50) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL29965429 0.79 NPC1 (0.55) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5700495 0.79 HPGD (0.50) HPGDRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2090993 0.78 NFE2L2 (0.47) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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-1880996-A1 Spiroindolinepiperidine derivatives Syngenta Limited (GB) 2008-01-23 EP disclosed