SCHEMBL9056340

SCHEMBL9056340

Cc1ccc(C)c2c1C(=O)CC2(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
PGR P06401 2/20 0.36
MAPT P10636 1/20 0.35
BRD4 O60885 2/20 0.35
PKM P14618 1/20 0.34
OPRM1 P35372 4/20 0.34
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL17019762 0.78 CA1 (0.32) MAPTBRD4PKMOPRM1HSP90AA1
SCHEMBL6256987 0.76 PGR (0.44) KDM4EALDH1A1HPGDPGRBRD4
SCHEMBL6262202 0.75 PGR (0.46) KDM4EALDH1A1PGRCA1CA2
SCHEMBL17019678 0.75 SMN1; SMN2 (0.36) KDM4EALDH1A1BRD4HTTCA1
SCHEMBL17019572 0.75 PDE7A (0.33) BRD4CA1CA2CA7CA9
SCHEMBL17019570 0.73 BRD4 (0.32) BRD4
SCHEMBL18870236 0.73 PDE7A (0.38) KDM4EALDH1A1MAPTHTTGAA
SCHEMBL17019703 0.71 MAPT (0.33) MAPT
SCHEMBL17019675 0.70 CYP1A2 (0.40) OPRM1HTR2AHTR2CHTR2B
SCHEMBL16449706 0.67 MEN1 (0.31) MEN1ALPLMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4572796-A 1,1,4,7-Tetramethyl-3-indanone, product produced thereby and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-02-25 US claimed
EP-0567953-B1 Process for the preparation of substituted indanones HOECHST AG (DE) 1996-03-13 EP disclosed
US-5329049-A Process for the preparation of substituted indanones HOECHST AKTIENGESELLSCHAFT (DE) 1994-07-12 US disclosed
EP-0567953-A1 Process for the preparation of substituted indanones HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed
US-4572796-A 1,1,4,7-Tetramethyl-3-indanone, product produced thereby and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-02-25 US disclosed
US-4572796-A 1,1,4,7-Tetramethyl-3-indanone, product produced thereby and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-02-25 US disclosed
US-4572796-A 1,1,4,7-Tetramethyl-3-indanone, product produced thereby and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-02-25 US disclosed