SCHEMBL7818683

SCHEMBL7818683

N[C@@H](Cc1c(Cl)cc(C(F)(F)F)cc1Cl)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.45
▸ PTPN1 P18031 2/20 0.42
▸ FFAR1 O14842 1/20 0.42
▸ KIF11 P52732 1/20 0.41
▸ USP2 O75604 3/20 0.40
▸ PKM P14618 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ RGS12 O14924 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ BRCA1 P38398 1/20 0.40

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
SCHEMBL7818681 1.00 GRB2 (0.45) GRB2PTPN1FFAR1KIF11USP2
SCHEMBL18035915 0.82 GRB2 (0.46) GRB2PTPN1KIF11MEN1KMT2A
SCHEMBL2900362 0.80 GRB2 (0.52) GRB2PTPN1FFAR1KIF11USP2
SCHEMBL2900363 0.80 GRB2 (0.52) GRB2PTPN1FFAR1KIF11USP2
SCHEMBL5327704 0.80 SLC7A5 (0.50) USP2PKMMEN1KMT2AALOX15
SCHEMBL5327701 0.80 SLC7A5 (0.50) USP2PKMMEN1KMT2AALOX15
SCHEMBL2265488 0.80 USP2 (0.44) USP2PKMMEN1KMT2AALOX15
SCHEMBL10697710 0.79 GRB2 (0.38) GRB2PTPN1USP2PKMMEN1
SCHEMBL16163463 0.78 GRB2 (0.50) GRB2PTPN1KIF11USP2PKM
SCHEMBL1311116 0.78 GRB2 (0.57) GRB2PTPN1KIF11USP2PKM

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-6258973-B1 OXIDATION RHONE-POULENC AGRO (FR) 2001-07-10 — — US claimed
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