SCHEMBL9001607

SCHEMBL9001607

CCCCCCc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.56
PPARA Q07869 1/20 0.52
GCGR P47871 1/20 0.52
POLB P06746 1/20 0.49
ESR1 P03372 2/20 0.49
ADRA2A P08913 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
TACR2 P21452 2/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
SHBG P04278 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
HSPD1 P10809 1/20 0.49
ADRB3 P13945 1/20 0.49
HTR2C P28335 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
SCHEMBL10489192 1.00 KAT8 (0.56) KAT8PPARAGCGRPOLBESR1
SCHEMBL7094143 1.00 KAT8 (0.56) KAT8PPARAGCGRPOLBESR1
SCHEMBL7041547 1.00 KAT8 (0.56) KAT8PPARAGCGRPOLBESR1
SCHEMBL9586705 1.00 KAT8 (0.56) KAT8PPARAGCGRPOLBESR1
SCHEMBL24599560 0.98 KAT8 (0.54) KAT8PPARAGCGRPOLBESR1
SCHEMBL1025706 0.94 POLB (0.51) KAT8GCGRPOLBKDM4EALDH1A1
SCHEMBL11007381 0.92 POLB (0.55) POLBKDM4EALDH1A1LMNATP53
SCHEMBL11001841 0.92 POLB (0.55) POLBKDM4EALDH1A1LMNATP53
SCHEMBL9375601 0.89 GCGR (0.56) KAT8GCGRESR1ADRA2AADORA3
SCHEMBL11831056 0.88 PPARA (0.56) KAT8PPARAESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460703-B1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1996-09-04 EP disclosed
US-5318720-A Liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
EP-0460703-A1 Mesomorphic compound, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1991-12-11 EP disclosed
US-4020081-A FOR COPPER AND NICKEL GENERAL MILLS CHEMICALS, INC. (US) 1977-04-26 US disclosed
US-3954936-A COPPER, COBALT, MANGANESE, NICKEL E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-05-04 US disclosed