SCHEMBL6256987

SCHEMBL6256987

Cc1cccc2c1C(=O)CC2(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.44
OPRM1 P35372 2/20 0.38
GRIA1 P42261 1/20 0.38
CACNG8 Q8WXS5 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TYMS P04818 1/20 0.37
PDE7A Q13946 1/20 0.35
CD44 P16070 1/20 0.34
PDK2 Q15119 1/20 0.34
HTT P42858 1/20 0.34
BRD4 O60885 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AVPR1A P37288 1/20 0.33

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
SCHEMBL31284670 0.79 PGR (0.43) PGROPRM1CA1CA2CA7
SCHEMBL17460761 0.79 PGR (0.40) PGRCA1CA2CA7CA9
SCHEMBL11242496 0.79 TXNRD1 (0.41) PGRCA1CA2CA7CA9
SCHEMBL20478886 0.77 TXNRD1 (0.43) CA1CA2CA7CA9KDM4E
SCHEMBL9056340 0.76 KDM4E (0.36) PGROPRM1CA1CA2CA7
SCHEMBL3368781 0.73 TSHR (0.42) PGROPRM1KDM4EALDH1A1HPGD
SCHEMBL12714940 0.73 LCK (0.43) GRIA1CACNG8CA1CA2CA7
SCHEMBL6262202 0.72 PGR (0.46) PGRCA1CA2CA7CA9
SCHEMBL5764522 0.70 PDE7A (0.46) PGRGRIA1CACNG8CA1CA2
SCHEMBL29581434 0.69 PGR (0.51) PGRTYMS

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
EP-1310240-B1 6-Alkylindane-1-ones as perfuming agents BELL FLAVORS & FRAGANCES GMBH (DE) 2005-10-19 EP disclosed
EP-1310240-A1 6-Alkylindane-1-ones as perfuming agents HAARMANN & REIMER GMBH (DE) 2003-05-14 EP disclosed