SCHEMBL6664480

SCHEMBL6664480

Cn1cc(C(=O)O)c(=O)c2cc(Cl)c(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.53
KMT2A Q03164 3/20 0.48
MAOB P27338 2/20 0.46
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 5/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
APEX1 P27695 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.40
DRD3 P35462 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL29577405 0.88 LMNA (0.49) LMNAKMT2AALDH1A1HPGDMEN1
SCHEMBL6669710 0.88 LMNA (0.49) LMNAKMT2AALDH1A1HPGDMEN1
SCHEMBL9321255 0.82 LMNA (0.51) LMNAKMT2AALDH1A1HPGDMEN1
SCHEMBL11391125 0.81 ALDH1A1 (0.56) LMNAKMT2AALDH1A1HPGDMEN1
SCHEMBL3663507 0.81 KMT2A (0.55) LMNAKMT2AMAOBALDH1A1MEN1
SCHEMBL9381103 0.81 LMNA (0.50) LMNAKMT2AALDH1A1HPGDMEN1
SCHEMBL5683020 0.80 KDM4E (0.64) LMNAKMT2AALDH1A1HPGDMEN1
SCHEMBL11401876 0.79 LMNA (0.61) LMNAKMT2AALDH1A1HPGDMEN1
SCHEMBL11389161 0.79 LMNA (0.56) LMNAKMT2AALDH1A1HPGDMEN1
SCHEMBL17181494 0.78 LMNA (0.48) LMNAKMT2AALDH1A1HPGDMEN1

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-0831845-B1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS IN (US) 2004-09-08 EP disclosed
US-5854227-A Therapeutic derivatives of diphosphonates ELIZANOR BIOPHARMACUETICALS, INC. 1998-12-29 US disclosed
WO-1996040156-A1 DIPHOSPHONATE DERIVATIVES OF THERAPEUTIC AGENTS ELIZANOR BIOPHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
US-4292317-A BACTERICIDES FOR GRAM NEGATIVE AND -POSITIVE BACTERIA; ANIMAL GROWTH REGULATORS LABORATORIE ROGER BELLON (FR) 1981-09-29 US disclosed