SCHEMBL5280903

SCHEMBL5280903

COC(=O)CC(CC(=O)O)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.51
HTT P42858 2/20 0.51
HPGD P15428 2/20 0.51
CYP2C9 P11712 1/20 0.51
CYP1A2 P05177 1/20 0.45
CASP1 P29466 1/20 0.44
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
HTR2C P28335 2/20 0.41
PTGER4 P35408 1/20 0.41
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
TDP1 Q9NUW8 2/20 0.41

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
SCHEMBL5280121 1.00 CYP2C19 (0.51) CYP2C19HTTHPGDCYP2C9CYP1A2
SCHEMBL14582256 0.89 MTNR1A (0.45) CYP2C19HTTHPGDCYP2C9CYP1A2
SCHEMBL657068 0.88 HPGD (0.54) CYP2C19HTTHPGDCYP2C9CYP1A2
SCHEMBL656946 0.88 HPGD (0.62) CYP2C19HTTHPGDCYP2C9CYP1A2
SCHEMBL14582250 0.84 HTT (0.55) CYP2C19HTTHPGDCYP2C9CYP1A2
SCHEMBL3814689 0.82 CYP2C9 (0.56) CYP2C19HTTHPGDCYP2C9CYP1A2
SCHEMBL7686449 0.81 CYP2C19 (0.41) CYP2C19HTTHPGDCYP2C9CYP1A2
SCHEMBL28754169 0.81 CYP2C19 (0.48) CYP2C19HTTHPGDCYP2C9CYP1A2
SCHEMBL5829435 0.81 CYP2C19 (0.48) CYP2C19HTTHPGDCYP2C9CYP1A2
SCHEMBL9807303 0.79 HPGD (0.54) CYP2C19HTTHPGDCYP2C9CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918754-B1 ANTHRANILIC ACID DIAMIDES DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL USE AS ANTI-GASTRIN AGENTS ROTTAPHARM SPA (IT) 2007-12-05 EP claimed
US-6075033-A Anthranilic acid diamides derivatives, their preparation and pharmaceutical use as anti-gastrin agents ROTTA RESEARCH LABORATORIUM S.P.A (IT) 2000-06-13 US claimed