SCHEMBL4862983

SCHEMBL4862983

C=C(C)C(=O)Oc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
ELANE P08246 1/20 0.53
KDM4E B2RXH2 5/20 0.51
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 3/20 0.44
TDP1 Q9NUW8 2/20 0.40
APEX1 P27695 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.39
HPSE Q9Y251 1/20 0.38
HSD17B10 Q99714 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PYGM P11217 1/20 0.38
CFD P00746 1/20 0.38
AKR1C3 P42330 1/20 0.37

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
SCHEMBL5323841 0.88 CFD (0.51) ALDH1A1ELANEKDM4EKMT2AATM
SCHEMBL8416646 0.87 ELANE (0.54) ALDH1A1ELANEKDM4EKMT2AATM
SCHEMBL6271897 0.87 ALDH1A1 (0.50) ALDH1A1ELANEKDM4EKMT2AATM
SCHEMBL6277588 0.87 ELANE (0.50) ALDH1A1ELANEKDM4EKMT2AATM
SCHEMBL18530462 0.87 ELANE (0.67) ALDH1A1ELANEKDM4EPOLBHTT
SCHEMBL23963497 0.85 ELANE (0.49) ALDH1A1ELANEKDM4EKMT2AATM
SCHEMBL8440044 0.84 KDM4E (0.77) ALDH1A1ELANEKDM4EKMT2AATM
SCHEMBL8441120 0.84 CFD (0.59) ALDH1A1ELANEKDM4EKMT2AATM
SCHEMBL4360840 0.82 KDM4E (0.73) ALDH1A1ELANEKDM4EPOLBTDP1
SCHEMBL1945679 0.82 ELANE (0.52) ALDH1A1ELANEKDM4EKMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10813849-B2 Rechargeable calcium phosphate-containing dental materials UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-10-27 US disclosed
US-20190290550-A1 METFORMIN-CONTAINING DENTAL MATERIALS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2019-09-26 US disclosed
US-20160228335-A1 RECHARGEABLE CALCIUM PHOSPHATE-CONTAINING DENTAL MATERIALS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-08-11 US disclosed
US-7378224-B2 Method for forming pattern, and optical element JSR CORPORATION (JP) 2008-05-27 US disclosed
EP-1296186-B1 Radiation sensitive resin composition, rib, rib forming method and display element JSR CORP (JP) 2006-06-07 EP disclosed
US-6852476-B2 Radiation sensitive resin composition, rib, rib forming method and display element JSR CORPORATION (JP) 2005-02-08 US disclosed
US-20050014100-A1 Method for forming pattern, and optical element JSR CORPORATION (JP) 2005-01-20 US disclosed
EP-1498776-A2 Method for forming pattern, and optical element JSR Corporation (JP) 2005-01-19 EP disclosed
US-20030068574-A1 Radiation sensitive resin composition, rib, rib forming method and display element JSR CORPORATION (JP) 2003-04-10 US disclosed
EP-1296186-A1 Radiation sensitive resin composition, rib, rib forming method and display element JSR Corporation (JP) 2003-03-26 EP disclosed
EP-0880075-B1 Radiation sensitive resin composition JSR CORP (JP) 2001-10-17 EP disclosed
US-5958648-A Radiation sensitive resin composition JSR CORPORATION (JP) 1999-09-28 US disclosed
EP-0880075-A1 Radiation sensitive resin composition JSR Corporation (JP) 1998-11-25 EP disclosed