SCHEMBL9537022

SCHEMBL9537022

O=C1C(c2ccc(Cl)cc2Cl)C(=O)N2CCCCC12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.46
CNR2 P34972 4/20 0.46
TSHR P16473 2/20 0.43
GAA P10253 1/20 0.43
AGTR1 P30556 1/20 0.43
ALDH1A1 P00352 2/20 0.39
ATM Q13315 1/20 0.39
ALOX15 P16050 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL9536702 0.79 SMN1; SMN2 (0.39) TSHRALDH1A1
SCHEMBL8950429 0.75 ALDH1A1 (0.46) CNR1CNR2TSHRGAAAGTR1
SCHEMBL14463376 0.74 CNR1 (0.62) CNR1CNR2TSHRGAAAGTR1
SCHEMBL14464974 0.74 CNR1 (0.62) CNR1CNR2TSHRGAAAGTR1
SCHEMBL9535573 0.73 KMT2A (0.36) ALDH1A1
SCHEMBL9687425 0.70 TSHR (0.43) CNR1CNR2TSHRGAAAGTR1
SCHEMBL9687433 0.70 TSHR (0.43) CNR1CNR2TSHRGAAAGTR1
SCHEMBL9687438 0.70 TSHR (0.43) CNR1CNR2TSHRGAAAGTR1
SCHEMBL5929382 0.70 ALDH1A1 (0.37) TSHRALDH1A1ATMALOX15
SCHEMBL11211107 0.70 HTR2A (0.47) TSHRGAAAGTR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355599-B1 3-ARYL-PYRROLIDINE-2,4-DIONES BAYER AG (DE) 1993-05-19 EP disclosed
US-5091537-A Acylamino acid ester derivatives; insecticide, fungicide, herbicide, acaricide, and antimycotic agent BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
US-4985063-A INSECTICIDES, MITICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 US disclosed
EP-0355599-A1 3-Aryl-pyrrolidine-2,4-diones BAYER AG (DE) 1990-02-28 EP disclosed