SCHEMBL8939501

SCHEMBL8939501

C[C@](N)(Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.62
BLM P54132 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MEN1 O00255 1/20 0.62
USP2 O75604 1/20 0.62
ALDH1A1 P00352 1/20 0.62
EGFR P00533 1/20 0.62
FYN P06241 1/20 0.62
POLB P06746 1/20 0.62
CYP3A4 P08684 1/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
HPGD P15428 1/20 0.62
ALOX15 P16050 1/20 0.62
APEX1 P27695 1/20 0.62
ADRA1A P35348 1/20 0.62
PTGS2 P35354 1/20 0.62
MTOR P42345 1/20 0.62
RECQL P46063 1/20 0.62
CASP6 P55212 1/20 0.62

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
SCHEMBL29982408 1.00 CYP1A2 (0.62) CYP1A2BLMKDM4EMEN1USP2
SCHEMBL4610682 0.83 CYP1A2 (0.50) CYP1A2SLC13A5CYP2A6MMP1MMP9
SCHEMBL20067118 0.83 CYP1A2 (0.50) CYP1A2SLC13A5CYP2A6MMP1MMP9
SCHEMBL9400143 0.83 MMP1 (0.49) CYP1A2BLMKDM4EMEN1USP2
SCHEMBL202327 0.81 BLM (0.72) CYP1A2BLMKDM4EMEN1USP2
SCHEMBL122295 0.81 BLM (0.72) CYP1A2BLMKDM4EMEN1USP2
SCHEMBL122296 0.81 BLM (0.72) CYP1A2BLMKDM4EMEN1USP2
SCHEMBL4625484 0.80 KDM4E (0.50) CYP1A2BLMKDM4EMEN1USP2
SCHEMBL8872531 0.80 CYP1A2 (0.53) CYP1A2SLC13A5SLC1A3SLC1A2SLC1A1
SCHEMBL1510917 0.79 SLC6A2 (0.57) CYP1A2ALDH1A1CYP3A4HSD17B10CYP2A6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563132-B1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES BLACK JAMES FOUNDATION (GB) 1996-02-07 EP disclosed
US-5486597-A GASTRIN ANTAGONIST AS ANTISECRETORY AGENTS OF GASTRIC JUICE FOR STOMACH CANCER JAMES BLACK FOUNDATION LIMITED (GB) 1996-01-23 US disclosed
EP-0563132-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES. BLACK JAMES FOUNDATION (GB) 1993-10-06 EP disclosed
WO-1992011284-A1 TETRAPEPTIDE DERIVATIVES AND ANALOGUES THE JAMES BLACK FOUNDATION LIMITED (GB) 1992-07-09 WO disclosed