SCHEMBL5683173

SCHEMBL5683173

CCOc1c(N)cc2ccccc2c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.52
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 4/20 0.51
HPGD P15428 3/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
GLA P06280 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
IDO1 P14902 1/20 0.41
LMNA P02545 4/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
TSHR P16473 2/20 0.39
ME2 P23368 1/20 0.39

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
SCHEMBL8810679 0.84 ALDH1A1 (0.53) FDPSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6604281 0.80 KDM4E (0.47) FDPSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL2299912 0.76 PTGER4 (0.47) FDPSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL3491579 0.76 KDM4E (0.68) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL7048117 0.76 ALDH1A1 (0.43) FDPSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL10790400 0.75 ALDH1A1 (0.53) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL27616553 0.75 KMT2A (0.61) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL9551598 0.75 ALDH1A1 (0.43) FDPSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL23499976 0.75 KDM4E (0.45) FDPSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1955302 0.75 MEN1 (0.71) KDM4EALDH1A1HSD17B10HPGDMEN1

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
EP-0831869-B1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 2006-02-08 EP disclosed
EP-0831845-B1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 2004-09-08 EP disclosed
EP-0831869-A4 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 1999-04-21 EP disclosed
US-5880111-A CHEMOTHERAPWUTIC AGENTS; TREATING PERIODONTAL DISEASE AND URINARY TRACT INFECTIONS FARCASIU DAN (US) 1999-03-09 US disclosed
US-5854227-A Therapeutic derivatives of diphosphonates ELIZANOR BIOPHARMACUETICALS, INC. 1998-12-29 US disclosed
EP-0831845-A4 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 1998-12-02 EP disclosed
EP-0831845-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS Elizanor Biopharmaceuticals, Inc. (US) 1998-04-01 EP disclosed
EP-0831869-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS Elizanor Biopharmaceuticals, Inc. (US) 1998-04-01 EP disclosed
WO-1996040190-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
WO-1996040156-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed