SCHEMBL11110045

SCHEMBL11110045

O=C1CCCCN1c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.54
ALDH1A1 P00352 7/20 0.51
MAPT P10636 4/20 0.51
HSP90AA1 P07900 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.47
BRD9 Q9H8M2 2/20 0.46
USP2 O75604 1/20 0.45
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL10876568 0.95 CMA1 (0.56) CMA1ALDH1A1MAPTHSP90AA1TSHR
SCHEMBL11117922 0.86 LMNA (0.63) CMA1ALDH1A1MAPTKMT2ALMNA
SCHEMBL10875734 0.76 CMA1 (0.47) CMA1ALDH1A1MAPTHSP90AA1TSHR
SCHEMBL5768782 0.75 CMA1 (0.73) CMA1ALDH1A1MAPTHSP90AA1TSHR
SCHEMBL12445273 0.74 LMNA (0.51) ALDH1A1TSHRKMT2ALMNASMN1; SMN2
SCHEMBL10877042 0.74 CMA1 (0.53) CMA1ALDH1A1MAPTHSP90AA1TSHR
SCHEMBL11696465 0.73 CMA1 (0.55) CMA1ALDH1A1MAPTHSP90AA1TSHR
SCHEMBL11118161 0.73 ALDH1A1 (0.45) ALDH1A1TSHRKMT2ALMNASMN1; SMN2
SCHEMBL11118270 0.73 CYP17A1 (0.46) ALDH1A1TSHRKMT2ALMNASMN1; SMN2
SCHEMBL11110414 0.73 ALDH1A1 (0.45) ALDH1A1TSHRKMT2ALMNASMN1; SMN2

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-0106988-A1 Pharmacologically active lactam derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP claimed
EP-0106988-A1 Pharmacologically active lactam derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP disclosed