SCHEMBL7604589

SCHEMBL7604589

CC(C(=O)O)c1sccc1P(=O)(O)Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCHR1 Q99705 1/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 3/20 0.35
LTB4R Q15722 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.34
PTGS2 P35354 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN4 P29074 1/20 0.33
PTPN9 P43378 1/20 0.33
PTPN11 Q06124 1/20 0.33

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
SCHEMBL7608740 0.84 POLB (0.34) HPGDALDH1A1PTPN2PTPN1PTPN4
SCHEMBL7609653 0.76 PTGS2 (0.36) MEN1CYP1A2KMT2AHPGDALDH1A1
SCHEMBL8460361 0.73 MEN1 (0.38) MEN1CYP1A2KMT2APTGS2
SCHEMBL10682699 0.73 L3MBTL1 (0.44) CYP1A2HPGDLTB4RLMNAPTGS2
SCHEMBL7609311 0.72 KMT2A (0.36) TSHRMEN1CYP1A2KMT2AHPGD
SCHEMBL7609843 0.71 ALDH1A1 (0.38) TSHRKDM4EMEN1KMT2ALMNA
SCHEMBL7606831 0.70 PTGS1 (0.36) ALOX15TSHRKDM4ENPSR1MEN1
SCHEMBL7605209 0.70 PTGS1 (0.36) ALOX15TSHRKDM4ENPSR1MEN1
SCHEMBL8061143 0.69 CETP (0.36) ALOX15TSHRKDM4EMEN1KMT2A
SCHEMBL3048188 0.68 ALOX5 (0.40) TSHRKDM4EMEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002515040-A 2002-05-21 JP claimed
JP-2002514160-A 2002-05-14 JP claimed
EP-0954295-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-11-10 EP claimed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP claimed
EP-0936914-A4 1999-08-25 EP claimed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
WO-1997048409-A1 METHODS OF CANCER TREATMENT USING NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO claimed
EP-0936914-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1999-08-25 EP disclosed
EP-0936914-A4 1999-08-25 EP disclosed
WO-1997048400-A1 HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 1997-12-24 WO disclosed