SCHEMBL9502970

SCHEMBL9502970

C=CCc1cccc2c1CC[CH]2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
AKR1B1 P15121 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2B P18089 3/20 0.31
ADRA2C P18825 3/20 0.31
ADRA2A P08913 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
MAP4K4 O95819 1/20 0.31
RET P07949 1/20 0.31
IGF1R P08069 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
SCHEMBL9159294 0.73 HTR2B (0.37) MAPK1CYP3A4ADRA2BADRA2AALDH1A1
SCHEMBL9503524 0.72 ALDH1A1 (0.34) ALDH1A1
Water SCHEMBL1567615 0.69 MTNR1B (0.40) GABRA1GABRB2AKR1B1MAPTCYP1A2
SCHEMBL5824091 0.67 GABRA1 (0.58) GABRA1GABRB2AKR1B1MAPTMEN1
SCHEMBL9455879 0.67 GABRA1 (0.49) GABRA1GABRB2AKR1B1MAPTMAPK1
SCHEMBL10389620 0.67 GABRA1 (0.41) GABRA1GABRB2AKR1B1MAPTMEN1
SCHEMBL17498090 0.67 GABRA1 (0.41) GABRA1GABRB2ADRA2BADRA2CADRA2A
SCHEMBL29763626 0.66 GABRA1 (0.56) GABRA1GABRB2AKR1B1MAPTMEN1
SCHEMBL173300 0.66 GABRA1 (0.56) GABRA1GABRB2AKR1B1MAPTMEN1
SCHEMBL9092024 0.66 GABRA1 (0.47) GABRA1GABRB2AKR1B1MAPTMEN1

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
EP-0357742-B1 NEW PYRETHRINOID ESTERS CARRYING AN INDANYL RING, PREPARATION METHOD AND APPLICATION AS PESTICIDES ROUSSEL-UCLAF (FR) 1993-06-09 EP claimed
EP-0357742-A1 NEW PYRETHRINOID ESTERS CARRYING AN INDANYL RING, PREPARATION METHOD AND APPLICATION AS PESTICIDES. ROUSSEL UCLAF (FR) 1990-03-14 EP disclosed
EP-0356454-A1 CYCLIC HYDROCARBONS WITH AN AMINOALKYL SIDECHAIN. UPJOHN CO (US) 1990-03-07 EP disclosed
WO-1989008096-A1 NEW PYRETHRINOID ESTERS CARRYING AN INDANYL RING, PREPARATION METHOD AND APPLICATION AS PESTICIDES ROUSSEL-UCLAF (FR) 1989-09-08 WO disclosed
WO-1988008002-A1 CYCLIC HYDROCARBONS WITH AN AMINOALKYL SIDECHAIN THE UPJOHN COMPANY (US) 1988-10-20 WO disclosed