SCHEMBL6281491

SCHEMBL6281491

Cc1ccc(C(C(c2ccc(C)cc2)[N+](=O)[O-])[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.50
HSD17B10 Q99714 1/20 0.50
FBP1 P09467 1/20 0.42
TSHR P16473 4/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HSP90AA1 P07900 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
AGTR1 P30556 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 1/20 0.40
CHRNA7 P36544 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 1/20 0.35

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
SCHEMBL17018447 0.79 ACHE (0.48) ACHEHSD17B10FBP1TSHRALDH1A1
SCHEMBL11535923 0.77 ACHE (0.46) ACHEHSD17B10FBP1TSHRALDH1A1
SCHEMBL6281430 0.75 LMNA (0.46) FBP1TSHRALDH1A1TDP1MAPT
SCHEMBL10653829 0.74 ACHE (0.43) ACHEHSD17B10FBP1TSHRALDH1A1
SCHEMBL9337987 0.74 ACHE (0.43) ACHEHSD17B10FBP1TSHRALDH1A1
P-Cymene SCHEMBL28370313 0.73 ACHE (0.46) ACHEHSD17B10FBP1TSHRALDH1A1
SCHEMBL11795819 0.73 ACHE (0.42) ACHEHSD17B10FBP1TSHRALDH1A1
SCHEMBL5164396 0.73 ACHE (0.42) ACHEHSD17B10FBP1TSHRALDH1A1
P-Xylene SCHEMBL9492886 0.71 ACHE (0.62) ACHEHSD17B10FBP1TSHRALDH1A1
SCHEMBL1984032 0.70 ALDH1A1 (0.50) ACHEHSD17B10FBP1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967229-B2 Carbon-carbon initiators for use in golf balls ACUSHNET COMPANY (US) 2005-11-22 US claimed
US-20050009992-A1 Carbon-carbon initiators for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-01-13 US claimed
US-9056227-B2 Golf ball comprising a core having a shallow hardness gradient ACUSHNET COMPANY (US) 2015-06-16 US disclosed
US-8968117-B2 Dual-core comprising zero gradient center and positive gradient outer core layer ACUSHNET COMPANY (US) 2015-03-03 US disclosed
CN-103877703-A Dual-Core Comprising Zero Gradient Center And Positive Gradient Outer Core Layer ACUSHNET CO 2014-06-25 CN disclosed
US-20130109504-A1 DUAL-CORE COMPRISING ZERO GRADIENT CENTER AND POSITIVE GRADIENT OUTER CORE LAYER ACUSHNET COMPANY (US) 2013-05-02 US disclosed
US-20130109506-A1 GOLF BALL COMPRISING A CORE HAVING A SHALLOW HARDNESS GRADIENT ACUSHNET COMPANY (US) 2013-05-02 US disclosed
US-6967229-B2 Carbon-carbon initiators for use in golf balls ACUSHNET COMPANY (US) 2005-11-22 US disclosed
US-20050009992-A1 Carbon-carbon initiators for use in golf balls JPMORGAN CHASE BANK, N.A., AS SUCCESSOR ADMINISTRATIVE AGENT 2005-01-13 US disclosed
EP-0144015-B1 SELF-EXTINGUISHING COMPOSITIONS BASED ON ETHYLENE VINYLACETATE COPOLYMERS SUITABLE FOR THE PREPARATION OF FOAMED MATERIALS MONTEDIPE S.p.A. (IT) 1988-09-14 EP disclosed
EP-0144015-A1 Self-extinguishing compositions based on ethylene vinylacetate copolymers suitable for the preparation of foamed materials MONTEDIPE S.p.A. (IT) 1985-06-12 EP disclosed