SCHEMBL8611199

SCHEMBL8611199

CC1(C)CCc2ccccc2C1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 3/20 0.44
SIGMAR1 Q99720 2/20 0.44
DRD2 P14416 1/20 0.44
KCNH2 Q12809 1/20 0.44
PDPK1 O15530 1/20 0.43
ACP3 P15309 1/20 0.39
CYP3A4 P08684 2/20 0.38
PRCP P42785 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
BCHE P06276 1/20 0.38
CHRM5 P08912 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL29447996 1.00 HTR2A (0.44) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL14429883 0.80 ALOX15 (0.44) SIGMAR1PDPK1CYP3A4PRCPMEN1
SCHEMBL1745011 0.80 ALOX15 (0.44) SIGMAR1PDPK1CYP3A4PRCPMEN1
SCHEMBL9493200 0.77 PDPK1 (0.43) HTR2APDPK1PRCPRET
SCHEMBL28223707 0.77 PDPK1 (0.43) HTR2AHTR2CHTR2BPDPK1ACP3
SCHEMBL11251250 0.76 HTR2A (0.43) HTR2AHTR2CHTR2BSIGMAR1DRD2
Hydrochloric Acid SCHEMBL9296485 0.74 HTR2A (0.45) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL2400566 0.74 PDPK1 (0.41) HTR2AHTR2CHTR2BPDPK1PRCP
SCHEMBL2583993 0.74 PDPK1 (0.53) HTR2AHTR2CHTR2BPDPK1PRCP
SCHEMBL2817474 0.73 HTR2C (0.55) HTR2AHTR2CHTR2BSIGMAR1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114262250-A Synthetic method of aromatic ring benzyl ortho-position dialkyl 乐威医药(江苏)股份有限公司 2022-04-01 CN disclosed
EP-3661601-A1 METHODS FOR INCREASING FERTILITY Newsouth Innovations Pty Limited (AU) 2020-06-10 EP disclosed
CN-106137862-B Composition and cosmetics containing nano Chinese angelica 南京谷润生物科技有限公司 2019-03-08 CN disclosed
WO-2019023748-A1 METHODS FOR INCREASING FERTILITY NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2019-02-07 WO disclosed
CN-106137862-A Composition containing nano Chinese angelica and cosmetics 南京谷润生物科技有限公司 2016-11-23 CN disclosed
EP-3068364-A1 SENESCENCE AND SENESCENCE ASSOCIATED SECRETORY PHENOTYPE NewSouth Innovations Pty Limited (AU) 2016-09-21 EP disclosed
WO-2015070280-A1 SENESCENCE AND SENESCENCE ASSOCIATED SECRETORY PHENOTYPE NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2015-05-21 WO disclosed
US-5756790-A FROM KETONES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-05-26 US disclosed