SCHEMBL7999049

SCHEMBL7999049

CC(C)(C)c1ccc2c(c1)CCC2C=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.39
TRPV4 Q9HBA0 1/20 0.38
SRD5A1 P18405 1/20 0.37
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
KIF11 P52732 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
DHODH Q02127 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
STS P08842 2/20 0.32

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
SCHEMBL27493817 0.84 SRD5A1 (0.49) TRPV1SRD5A1PPARA
SCHEMBL13930556 0.78 SRD5A1 (0.47) TRPV1SRD5A1ALDH1A1PPARA
SCHEMBL8015012 0.77 PPARD (0.39) TRPV1TRPV4SRD5A1PPARGPPARA
SCHEMBL4792781 0.77 TRPV1 (0.45) TRPV1TRPV4SRD5A1DDB1CRBN
SCHEMBL23119102 0.76 TRPV1 (0.38) TRPV1TRPV4SRD5A1ALDH1A1HPGD
SCHEMBL28110047 0.75 SRD5A1 (0.51) SRD5A1LMNAMAPTSMN1; SMN2
SCHEMBL1866161 0.75 TRPV1 (0.37) TRPV1TRPV4SRD5A1ALDH1A1MAPT
SCHEMBL5690949 0.75 TRPV1 (0.37) TRPV1TRPV4SRD5A1ALDH1A1MAPT
SCHEMBL22758499 0.75 PGR (0.43) TRPV1TRPV4SRD5A1ALDH1A1MAPT
SCHEMBL24927960 0.75 TRPV1 (0.37) TRPV1TRPV4SRD5A1KIF11ALDH1A1

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