SCHEMBL11535246

SCHEMBL11535246

CCCCC(=O)C1C2CCC(C2)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
ALDH1A1 P00352 3/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
EPHX2 P34913 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
PRKCA P17252 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 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
SCHEMBL11532435 0.90 ALDH1A1 (0.33) ALDH1A1NPSR1TSHR
SCHEMBL11532216 0.79 ALDH1A1 (0.31) ALDH1A1NPSR1
SCHEMBL10943675 0.74 ALDH1A1 (0.34) ALDH1A1NPSR1
SCHEMBL6551752 0.73 ALDH1A1 (0.33) ALDH1A1NPSR1
SCHEMBL453690 0.73 NPSR1 (0.33) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL11536857 0.73 ALDH1A1 (0.33) ALDH1A1NPSR1
SCHEMBL195829 0.69 CHRNB2 (0.35) ALDH1A1TP53MAPTMEN1KMT2A
SCHEMBL10937315 0.67 ALDH1A1 (0.33) ALDH1A1NPSR1
SCHEMBL11571790 0.66 ALDH1A1 (0.40) ALDH1A1NPSR1
SCHEMBL10785435 0.66 ALDH1A1 (0.38) ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4151309-A FOODS, CHEWING GUM, DENTIFRICES, DRUGS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-04-24 US disclosed
US-4143074-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-03-06 US disclosed
US-4136208-A FLAVORING WITH SUBSTITUTED NORBORNANE DERIVATIVES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-01-23 US disclosed
US-4130587-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-12-19 US disclosed
US-4126569-A Process of enhancing the aroma of a soap with liquid detergent norbornane derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-11-21 US disclosed
US-4126571-A Process of enhancing the aroma of a soap with norbornane derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-11-21 US disclosed
US-4126570-A Process of enhancing the aroma of a detergent with norbornane derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-11-21 US disclosed
US-4119577-A Substituted-norbornane perfumes compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-10-10 US disclosed