SCHEMBL27946267

SCHEMBL27946267

O=C(c1ccccc1)c1ccc(C(Cl)(Cl)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
VCAM1 P19320 1/20 0.50
CES2 O00748 2/20 0.49
MAPK1 P28482 3/20 0.47
HTT P42858 3/20 0.47
GLA P06280 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
LMNA P02545 4/20 0.41
CDC25B P30305 1/20 0.41
HCAR3 P49019 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
CES1 P23141 1/20 0.40

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
SCHEMBL9298819 0.86 HPD (0.54) ALDH1A1CES2MAPK1HTTGLA
SCHEMBL11289155 0.81 HPGD (0.59) ALDH1A1VCAM1CES2MAPK1RAB9A
SCHEMBL27979993 0.79 VCAM1 (0.60) ALDH1A1VCAM1CES2MAPK1GLA
Piperazine SCHEMBL28754151 0.79 HPD (0.51) ALDH1A1CES2MAPK1HTTGLA
SCHEMBL29355334 0.79 CES2 (0.75) ALDH1A1VCAM1CES2MAPK1HTT
SCHEMBL11230405 0.79 CES2 (0.75) ALDH1A1VCAM1CES2MAPK1HTT
SCHEMBL27605479 0.79 CASP6 (0.62) ALDH1A1VCAM1CES2MAPK1GLA
Chloromethane SCHEMBL28233541 0.79 ALDH1A1 (0.54) ALDH1A1VCAM1MAPK1HTTGLA
SCHEMBL28066803 0.78 ALDH1A1 (0.68) ALDH1A1VCAM1CES2MAPK1HTT
SCHEMBL11149099 0.78 MAPK1 (0.57) ALDH1A1VCAM1CES2MAPK1RAB9A

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
CN-105381573-B Golf 邓禄普体育用品株式会社 2018-03-09 CN disclosed
CN-103446720-B Golf ball 邓禄普体育用品株式会社 2017-05-10 CN disclosed
CN-103446718-B Golf and its manufacture method DUNLOP SPORTS CO., LTD. (JP) 2016-01-20 CN disclosed
CN-102526995-B Golf ball SRI SPORTS LTD 2015-04-15 CN disclosed
CN-102526997-B Golf ball DUNLOP SPORTS CO LTD 2015-04-15 CN disclosed
CN-102485294-B Golf ball DUNLOP SPORTS CO., LTD. (JP) 2014-10-15 CN disclosed
CN-103446718-A Golf ball and method for manufacturing the same DUNLOP SPORTS CO LTD 2013-12-18 CN disclosed