SCHEMBL9230759

SCHEMBL9230759

CO[C@]1(c2cccc(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c2)CCO[C@@H](C)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.41
TRIM24 O15164 5/20 0.39
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
CYP11B2 P19099 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
PKM P14618 2/20 0.31
HTR6 P50406 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 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
SCHEMBL9098432 0.89 ALOX5 (0.42) ALOX5TRIM24ALDH1A1GAACYP11B2
SCHEMBL9285981 0.86 TRIM24 (0.37) ALOX5TRIM24ALDH1A1GAACYP11B2
SCHEMBL9285980 0.86 TRIM24 (0.37) ALOX5TRIM24ALDH1A1GAACYP11B2
SCHEMBL9286206 0.86 TRIM24 (0.37) ALOX5TRIM24ALDH1A1GAACYP11B2
SCHEMBL9285989 0.86 TRIM24 (0.37) ALOX5TRIM24ALDH1A1GAACYP11B2
SCHEMBL2107553 0.86 TRIM24 (0.36) ALOX5TRIM24ALDH1A1GAACYP11B2
SCHEMBL9100200 0.83 ALOX5 (0.54) ALOX5TRIM24CYP11B2CYP1A2CYP11B1
SCHEMBL9286591 0.81 ALOX5 (0.43) ALOX5TRIM24ALDH1A1GAACYP11B2
SCHEMBL9127947 0.81 ALOX5 (0.43) ALOX5TRIM24ALDH1A1GAACYP11B2
SCHEMBL9286597 0.81 ALOX5 (0.43) ALOX5TRIM24ALDH1A1GAACYP11B2

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
EP-0702680-A1 2-OXO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES ZENECA LIMITED (GB) 1996-03-27 EP disclosed
WO-1994029297-A1 2-OXO-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES ZENECA LIMITED (GB) 1994-12-22 WO disclosed