SCHEMBL8008613

SCHEMBL8008613

CC(C)(C)c1ccc(CCC=O)cc1.CC(C)(C)c1ccc2c(c1)CC(C=O)C2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
GPR84 Q9NQS5 2/20 0.36
DAO P14920 1/20 0.35
SIGMAR1 Q99720 5/20 0.34
KCNH2 Q12809 1/20 0.33
MLNR O43193 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GRIA4 P48058 1/20 0.33
ESRRG P62508 3/20 0.32
SLC13A5 Q86YT5 2/20 0.32
ESRRB O95718 1/20 0.32
MOGAT2 Q3SYC2 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
SCHEMBL7185682 0.86 TRPV1 (0.36) TP53TSHR
SCHEMBL66122 0.80 TP53 (0.52) TP53TSHRGPR84DAOSIGMAR1
SCHEMBL1864936 0.80 TP53 (0.52) TP53TSHRGPR84DAOSIGMAR1
Methane SCHEMBL9798334 0.78 TP53 (0.50) TP53TSHRGPR84DAOSIGMAR1
SCHEMBL1013379 0.72 PNMT (0.50)
SCHEMBL16245890 0.70 HTR2A (0.36)
SCHEMBL1068676 0.70 KCNH2 (0.53) TP53TSHRGPR84DAOSIGMAR1
SCHEMBL30522104 0.69 TP53 (0.45) TP53TSHRGPR84DAOSIGMAR1
SCHEMBL5091992 0.68 TP53 (0.79) TP53TSHRGPR84DAOSIGMAR1
SCHEMBL1653009 0.67 HDAC4 (0.41) TP53TSHR

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
US-6103688-A TERT-BUTYL SUBSTITUTED INDAN DERIVATIVES FIRMENICH SA (CH) 2000-08-15 US disclosed
US-5552379-A FLORAL, FOR COSMETICS AND HOUSEHOLD ITEMS FIRMENICH SA (CH) 1996-09-03 US disclosed