SCHEMBL11113574

SCHEMBL11113574

CC(=O)Oc1ccc(N2C(=O)CCC2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.59
NPSR1 Q6W5P4 2/20 0.44
ABL1 P00519 2/20 0.44
ALDH1A1 P00352 4/20 0.44
ATM Q13315 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
CACNA1B Q00975 2/20 0.44
APBA1 Q02410 2/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL9892984 0.81 POLB (0.54) ALDH1A1KMT2ATDP1CYP1A2CYP3A4
SCHEMBL6997448 0.80 GLA (0.52) GLANPSR1ALDH1A1ATMHSD17B10
SCHEMBL11112763 0.78 ESR1 (0.49) NPSR1ABL1MAPK1KMT2ATDP1
SCHEMBL14687147 0.77 CA12 (0.53) ABL1ALDH1A1HPGDMAPTRAB9A
SCHEMBL16480425 0.77 HRH3 (0.43) ABL1ALDH1A1HPGDHTTLMNA
SCHEMBL9893024 0.77 HCRTR1 (0.43) ABL1MAPTKMT2ATDP1HRH3
SCHEMBL4636834 0.76 GAA (0.46) ABL1LMNARAB9AKMT2AGAA
SCHEMBL16480399 0.75 CCNA2 (0.40) ABL1ALDH1A1MAPTRAB9ATDP1
SCHEMBL25416662 0.74 ALDH1A1 (0.42) ABL1ALDH1A1MAPTKMT2AGAA
SCHEMBL22658820 0.74 SLC6A2 (0.46) ABL1ALDH1A1HSD17B10HPGDHTT

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