SCHEMBL1291850

SCHEMBL1291850

CC1=C(C)c2c(cc(C)c(C)c2C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
TDP2 O95551 1/20 0.37
NSD2 O96028 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PAX8 Q06710 1/20 0.37
NQO1 P15559 3/20 0.34
POR P16435 3/20 0.34
EPHX2 P34913 2/20 0.31
CDC25A P30304 1/20 0.30
CDC25B P30305 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30
TTR P02766 1/20 0.30

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
SCHEMBL11401650 0.77 TDP2 (0.37) MAOAMAOBTDP2NSD2HSP90AA1
SCHEMBL366868 0.76
SCHEMBL30002616 0.75 MAOA (0.56) MAOAMAOBTDP2NSD2HSP90AA1
SCHEMBL5808549 0.75 MAOA (0.56) MAOAMAOBTDP2NSD2HSP90AA1
SCHEMBL9512512 0.72 TTR (0.53) MAOBTDP2NSD2CDC25BKDM4E
SCHEMBL11398357 0.72 TDP2 (0.38) MAOAMAOBTDP2NSD2HSP90AA1
SCHEMBL8803414 0.70 CYP1A2 (0.44) MAOAMAOBTDP2NSD2HSP90AA1
SCHEMBL31001024 0.69 NQO1 (0.45) MAOAMAOBTDP2NSD2HSP90AA1
SCHEMBL15315048 0.68 MEN1 (0.46) MAOAMAOBTDP2NSD2HSP90AA1
SCHEMBL11348610 0.67 ALOX15 (0.37) TDP2NSD2HSP90AA1PAX8NQO1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3921074-A1 COMPOSITE MICROCAPSULES Firmenich SA (CH) 2021-12-15 EP disclosed
EP-3774017-A1 PROCESS FOR PREPARING POLYSUCCINIMIDE DERIVATIVES-BASED MICROCAPSULES Firmenich SA (CH) 2021-02-17 EP disclosed
WO-2021018947-A1 COMPOSITE MICROCAPSULES FIRMENICH SA (CH) 2021-02-04 WO disclosed
EP-3746216-A1 PROCESS FOR PREPARING MICROCAPSULES Firmenich SA (CH) 2020-12-09 EP disclosed
EP-3746217-A1 PROCESS FOR PREPARING MICROCAPSULES Firmenich SA (CH) 2020-12-09 EP disclosed
WO-2020058305-A1 PROCESS FOR PREPARING POLYSUCCINIMIDE DERIVATIVES-BASED MICROCAPSULES FIRMENICH SA (CH) 2020-03-26 WO disclosed
WO-2019243425-A1 PROCESS FOR PREPARING MICROCAPSULES FIRMENICH SA (CH) 2019-12-26 WO disclosed
WO-2019243426-A1 PROCESS FOR PREPARING MICROCAPSULES FIRMENICH SA (CH) 2019-12-26 WO disclosed
EP-3134498-A1 UNSATURED MACROCYCLIC EPOXIDE AS PERFUMING INGREDIENT Firmenich SA (CH) 2017-03-01 EP disclosed
EP-3003031-A1 COATED PARTICLES AND COMPOSITIONS COMPRISING SAME Vyome Biosciences Pvt Ltd (IN) 2016-04-13 EP disclosed
WO-2013092781-A1 WOODY ODORANTS FIRMENICH SA (CH) 2013-06-27 WO disclosed
WO-2013029958-A1 OUD ODORANTS FIRMENICH SA (CH) 2013-03-07 WO disclosed
EP-2561051-A1 ORGANIC CARBONATES WITH VANILLA ODOR Firmenich SA (CH) 2013-02-27 EP disclosed
WO-2012126686-A2 SAFFRON ODORANTS FIRMENICH SA (CH) 2012-09-27 WO disclosed
EP-2442782-A2 MALODOR COUNTERACTING COMPOSITIONS AND METHOD FOR THEIR USE TO COUNTERACT SWEAT MALODOR Firmenich S.A. (CH) 2012-04-25 EP disclosed
WO-2012045646-A1 BENZODIOXOLE DERIVATIVES AS WATERY ODORANTS FIRMENICH SA (CH) 2012-04-12 WO disclosed
WO-2011132098-A1 ORGANIC CARBONATES WITH VANILLA ODOR FIRMENICH SA (CH) 2011-10-27 WO disclosed
WO-2010146556-A2 MALODOR COUNTERACTING COMPOSITIONS AND METHOD FOR THEIR USE TO COUNTERACT SWEAT MALODOR FIRMENICH SA (CH) 2010-12-23 WO disclosed
EP-1910262-A1 NAPHTHALENONE DERIVATIVE WITH POWDERY-IONONE TYPE ODOURS FIRMENICH SA (CH) 2008-04-16 EP disclosed
WO-2007010420-A1 NAPHTHALENONE DERIVATIVE WITH POWDERY-IONONE TYPE ODOURS FIRMENICH SA (CH) 2007-01-25 WO disclosed