SCHEMBL1727465

SCHEMBL1727465

CCOc1ccccc1C(=O)O.P=NP

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 4/20 0.54
PTK2B Q14289 1/20 0.54
HCRTR1 O43613 2/20 0.54
KDM4E B2RXH2 3/20 0.53
HTT P42858 2/20 0.53
L3MBTL1 Q9Y468 4/20 0.51
GLA P06280 1/20 0.51
MEN1 O00255 2/20 0.50
KCNMA1 Q12791 1/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ESR1 P03372 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
HMGB1 P09429 1/20 0.49
HPGD P15428 1/20 0.49
GGT1 P19440 1/20 0.49
PTGS1 P23219 1/20 0.49

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
Benzene SCHEMBL27314454 0.90 ALDH1A1 (0.65) LMNAALDH1A1KMT2APTK2BHCRTR1
SCHEMBL124831 0.90 ALDH1A1 (0.65) LMNAALDH1A1KMT2APTK2BHCRTR1
SCHEMBL28803874 0.88 ALDH1A1 (0.62) LMNAALDH1A1KMT2APTK2BHCRTR1
Bicarbonate SCHEMBL21812140 0.88 ALDH1A1 (0.62) LMNAALDH1A1KMT2APTK2BHCRTR1
Water SCHEMBL9316910 0.88 ALDH1A1 (0.62) LMNAALDH1A1KMT2APTK2BHCRTR1
SCHEMBL11412997 0.88 ALDH1A1 (0.62) LMNAALDH1A1KMT2APTK2BHCRTR1
Bicarbonate SCHEMBL237486 0.88 ALDH1A1 (0.62) LMNAALDH1A1KMT2APTK2BHCRTR1
Hydrochloric Acid SCHEMBL3529351 0.88 ALDH1A1 (0.62) LMNAALDH1A1KMT2APTK2BHCRTR1
Bicarbonate SCHEMBL29943568 0.88 ALDH1A1 (0.62) LMNAALDH1A1KMT2APTK2BHCRTR1
Benzene SCHEMBL28074659 0.88 ALDH1A1 (0.62) LMNAALDH1A1KMT2APTK2BHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403544-B1 GALLIATED CALCIUM PHOSPHATE BIOMATERIALS GRAFTYS (FR) 2018-11-14 EP disclosed
US-8894958-B2 Galliated calcium phosphate biomaterials CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2014-11-25 US disclosed
US-20120111226-A1 Galliated Calcium Phosphate Biomaterials GRAFTYS (FR) 2012-05-10 US disclosed
EP-2403544-A1 GALLIATED CALCIUM PHOSPHATE BIOMATERIALS Graftys (FR) 2012-01-11 EP disclosed
US-20100248191-A1 Galliated calcium phosphate biomaterials CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2010-09-30 US disclosed
EP-2228080-A1 Galliated calcium phosphate biomaterials Graftys (FR) 2010-09-15 EP disclosed
WO-2010100211-A1 GALLIATED CALCIUM PHOSPHATE BIOMATERIALS GRAFTYS (FR) 2010-09-10 WO disclosed