SCHEMBL8015380

SCHEMBL8015380

Cc1cc(C)c(C2=C(O)C3CC3C2=O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNQ4 P56696 1/20 0.31
KCNQ5 Q9NR82 1/20 0.31
TSHR P16473 1/20 0.31
NR2F2 P24468 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
SCHEMBL8005648 0.92 HTR2A (0.33) HTR2AHTR2CHTR2B
SCHEMBL8019247 0.85 HTR2A (0.31) HTR2AHTR2CHTR2B
SCHEMBL8015573 0.83 TAS1R3 (0.33) HTR2AHTR2CHTR2B
SCHEMBL8713502 0.83 TAS1R3 (0.36) HTR2AHTR2CHTR2B
SCHEMBL18567693 0.83 HTR2A (0.33) HTR2AHTR2CHTR2BNR2F2
SCHEMBL18568163 0.82 HTR2A (0.33) HTR2AHTR2CHTR2BNR2F2
SCHEMBL8005667 0.81
SCHEMBL18568076 0.80
SCHEMBL8704408 0.79 NR1I2 (0.32) HTR2AHTR2CHTR2B
SCHEMBL431349 0.74 HTR2A (0.32) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773920-B1 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES BAYER AG (DE) 2000-01-26 EP disclosed
US-5808135-A HERBICIDE; PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
EP-0773920-A1 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES BAYER AG (DE) 1997-05-21 EP disclosed
WO-1996003366-A1 2-(2,4,6-TRIMETHYL PHENYL)CYCLOPENTANE-1,3-DIONE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1996-02-08 WO disclosed