SCHEMBL9123546

SCHEMBL9123546

N[C@@H](Cc1cc(C(F)(F)F)ccc1CCP(=O)(O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.49
GRM8 O00222 1/20 0.47
GRM4 Q14833 1/20 0.47
GRB2 P62993 1/20 0.46
KIF11 P52732 1/20 0.40
PTPRC P08575 1/20 0.39
USP2 O75604 2/20 0.38
RGS12 O14924 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP1 P29466 1/20 0.38
BRCA1 P38398 1/20 0.38
THPO P40225 1/20 0.38
CASP7 P55210 1/20 0.38
GNAI1 P63096 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL9123536 1.00 PTPN1 (0.49) PTPN1GRM8GRM4GRB2KIF11
SCHEMBL9122555 0.88 PTPN1 (0.43) PTPN1KIF11PTPRCUSP2RGS12
SCHEMBL9122565 0.88 PTPN1 (0.43) PTPN1KIF11PTPRCUSP2RGS12
SCHEMBL9121447 0.83 USP2 (0.44) PTPN1PTPRCUSP2RGS12CYP3A4
SCHEMBL9121452 0.83 USP2 (0.44) PTPN1PTPRCUSP2RGS12CYP3A4
SCHEMBL9125350 0.82 GRM8 (0.43) GRM8GRM4PTPRCUSP2RGS12
SCHEMBL9125343 0.82 GRM8 (0.43) GRM8GRM4PTPRCUSP2RGS12
SCHEMBL9121982 0.82 ALDH1A1 (0.48) GRM8GRM4PTPRCUSP2RGS12
SCHEMBL9121978 0.82 ALDH1A1 (0.48) GRM8GRM4PTPRCUSP2RGS12
SCHEMBL9121716 0.81 PTPRC (0.44) PTPRCUSP2RGS12CYP3A4CYP2C9

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
WO-1993005772-A1 φ-[2-(PHOSPHONOALKYL)PHENYL]-2-AMINOALKANOIC ACIDS AS ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS NOVA PHARMACEUTICAL CORPORATION (US) 1993-04-01 WO claimed
US-5395827-A Analgesic, anticonvulsant, antiepileptic and anxiolytic agents GUILFORD PHARMACEUTICALS INC. (US) 1995-03-07 US disclosed
WO-1993005772-A1 φ-[2-(PHOSPHONOALKYL)PHENYL]-2-AMINOALKANOIC ACIDS AS ANTAGONISTS OF EXCITATORY AMINO ACID RECEPTORS NOVA PHARMACEUTICAL CORPORATION (US) 1993-04-01 WO disclosed