SCHEMBL11062003

SCHEMBL11062003

CC(C)=CCC1C(C)CC(=O)CC1C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.34
LMNA P02545 1/20 0.34
PTGS1 P23219 1/20 0.34
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31
FNTA P49354 1/20 0.31
PGGT1B P53609 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL11059589 0.72
SCHEMBL21149860 0.68 ABCB11 (0.35) ABCB11LMNAPTGS1ALDH1A1PKM
SCHEMBL22556184 0.68 ABCB11 (0.35) ABCB11LMNAPTGS1ALDH1A1PKM
SCHEMBL22556185 0.68 ABCB11 (0.35) ABCB11LMNAPTGS1ALDH1A1PKM
SCHEMBL31509116 0.68 SMN1; SMN2 (0.39) ABCB11LMNAPTGS1FNTAPGGT1B
SCHEMBL24480551 0.68 ABCB11 (0.35) ABCB11LMNAPTGS1ALDH1A1PKM
SCHEMBL9459719 0.68 SMN1; SMN2 (0.39) ABCB11LMNAPTGS1FNTAPGGT1B
SCHEMBL13993771 0.68 MEN1 (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL4753888 0.67
SCHEMBL5138206 0.67

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-4432378-A ORGANOLEPTIC; TOBACCO; FOODS; DETERGENTS; COSMETICS FRITZSCHE, DODGE & OLCOTT, INC. (US) 1984-02-21 US disclosed
US-4326996-A FOR PERFUMES FRITZSCHE DODGE & OLCOTT INC. (US) 1982-04-27 US disclosed