SCHEMBL8932584

SCHEMBL8932584

CC1(C)COc2ccccc2C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 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
SCHEMBL15728004 0.79 HTR2B (0.36)
SCHEMBL27670730 0.79 ATM (0.36)
SCHEMBL2818470 0.77 MAOA (0.36) MAOAMAOBLTB4RLTB4R2
SCHEMBL3457236 0.76 TMEM97 (0.37)
SCHEMBL3283386 0.74 LTB4R (0.39) MAOAMAOBLTB4RLTB4R2
SCHEMBL27529161 0.74 HTR2B (0.33)
SCHEMBL29172253 0.71 HTR1A (0.37) MAOAMAOB
SCHEMBL29172254 0.71 HTR1A (0.37) MAOAMAOB
SCHEMBL29653988 0.71 HTR1A (0.37) MAOAMAOB
SCHEMBL26759117 0.71 HTR1A (0.37) MAOAMAOB

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 2 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
WO-1996026934-A1 SYNTHESIS OF OPTICALLY ACTIVE CALANOLIDES A AND B AND ENANTIOMERS AND RELATED COMPOUNDS THE UNIVERSITY OF TENNESSEE RESEARCH CORPORATION (US) 1996-09-06 WO disclosed