SCHEMBL9121978

SCHEMBL9121978

NC(Cc1cc(O)ccc1CCP(=O)(O)O)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 3/20 0.48
KMT2A Q03164 3/20 0.48
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
CYP3A4 P08684 2/20 0.48
MAPT P10636 2/20 0.48
NFKB1 P19838 2/20 0.48
BLM P54132 2/20 0.48
PMP22 Q01453 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
TSHR P16473 2/20 0.48
HTR1A P08908 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR7 P34969 1/20 0.48
HTR2B P41595 1/20 0.48

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
SCHEMBL9121982 1.00 ALDH1A1 (0.48) ALDH1A1ALOX15KMT2AHSD17B10KDM4E
SCHEMBL9125350 0.86 GRM8 (0.43) ALDH1A1ALOX15KMT2AHSD17B10KDM4E
SCHEMBL9125343 0.86 GRM8 (0.43) ALDH1A1ALOX15KMT2AHSD17B10KDM4E
SCHEMBL9121452 0.85 USP2 (0.44) ALDH1A1ALOX15KMT2AHSD17B10KDM4E
SCHEMBL9120958 0.85 USP2 (0.41) ALDH1A1ALOX15KMT2AHSD17B10KDM4E
SCHEMBL9120952 0.85 USP2 (0.41) ALDH1A1ALOX15KMT2AHSD17B10KDM4E
SCHEMBL9122929 0.85 CYP1A2 (0.52) ALDH1A1ALOX15KMT2AHSD17B10CYP3A4
SCHEMBL9121716 0.85 PTPRC (0.44) ALDH1A1ALOX15KMT2AHSD17B10KDM4E
SCHEMBL9121717 0.85 PTPRC (0.44) ALDH1A1ALOX15KMT2AHSD17B10KDM4E
SCHEMBL9122537 0.85 USP2 (0.41) ALDH1A1ALOX15KMT2AHSD17B10KDM4E

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