SCHEMBL7946010

SCHEMBL7946010

O=CC1=CC(=O)CC(c2ccccc2)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 5/20 0.49
LMNA P02545 5/20 0.49
ATM Q13315 1/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.43
MAP1LC3B Q9GZQ8 1/20 0.42
CFTR P13569 1/20 0.42
GOPC Q9HD26 1/20 0.42

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
SCHEMBL4620235 0.74 ALDH1A1 (0.69) GAAMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL4421957 0.74 SMN1; SMN2 (0.56) GAAMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL9746732 0.74 SMN1; SMN2 (0.56) GAAMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL8095470 0.73 ALDH1A1 (0.72) GAAMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL9331905 0.70 ALDH1A1 (0.60) GAAMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL562614 0.70 MAPT (1.00) GAAMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL449180 0.69 MAPT (0.82) GAAMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL19296881 0.69 ALDH1A1 (0.94) GAAMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL28366310 0.69 SMN1; SMN2 (1.00) GAAMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL5964906 0.69 MAPT (0.65) GAAMAPTSMN1; SMN2MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6215031-B1 REDUCING 3-FORMYLCYCLOALKANONE OR 3-FORMYLCYCLOALKENONE;3-HYDROXYMETHYL-5,5-DIMETHYLCYCLOHEXANOL DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-10 US disclosed
US-6100430-A ALICYCLIC COMPOUND CONTAINING TWO PRIMARY, SECONDARY AND/OR TERTIARY AMINO GROUPS AND HAVING A CARBON ATOM IN THE RING SUBSTITUTED WITH TWO ALKYL GROUPS; MAKING BY REDUCTIVE AMINATION OF A 3-FORMYLCYCLOALKENONE OR 3-FORMYLCYCLOALKANONE DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-08 US disclosed
EP-0976723-A2 A cycloaliphatic polyisocyanate compound, a process for the preparation thereof, a polyurethane therefrom, and an adhesive composition Daicel Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
EP-0895984-A1 ALICYCLIC POLYAMINES AND PROCESS FOR THE PREPARATION THEREOF DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-02-10 EP disclosed
EP-0895980-A1 3-HYDROXYMETHYLCYCLOALKANOLS AND PROCESS FOR PRODUCING THEM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-02-10 EP disclosed