SCHEMBL9466564

SCHEMBL9466564

O=CCCNC(=O)c1ccc(C=O)[nH]1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA4 P22459 1/20 0.35
KCNA1 Q09470 1/20 0.35
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AKR1C3 P42330 1/20 0.31
HTR2C P28335 1/20 0.31
ALOX15 P16050 1/20 0.31
HIF1A Q16665 1/20 0.31
EPAS1 Q99814 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL9466553 0.81 HIF1A (0.33) KCNA4KCNA1KDM4EALDH1A1DRD2
SCHEMBL12989481 0.81 KCNA4 (0.36) KCNA4KCNA1KDM4EALDH1A1DRD2
SCHEMBL7150031 0.73 HDAC3 (0.54) KDM4E
SCHEMBL7152545 0.70 MAP2K1 (0.48) KCNA4
SCHEMBL14163702 0.70 KDM4E (0.68) KDM4EALDH1A1DRD2DRD3HSD17B10
SCHEMBL645360 0.69 KDM4E (0.41) KDM4EALDH1A1HSD17B10ALOX15HIF1A
SCHEMBL9625733 0.68 EPHX2 (0.51) ALDH1A1
SCHEMBL28007671 0.67 LMNA (0.62)
SCHEMBL6539681 0.66 LMNA (0.51) ALDH1A1
SCHEMBL11953188 0.66 TSHR (0.45) KDM4E

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
US-5272253-A Cluster conjugates of drugs with antibodies ELI LILLY AND COMPANY (US) 1993-12-21 US disclosed
EP-0525992-A2 Cluster conjugates of drugs with antibodies ELI LILLY AND COMPANY (US) 1993-02-03 EP disclosed
US-5094849-A Antitumor ELI LILLY AND COMPANY (US) 1992-03-10 US disclosed
US-5006652-A Intermediates for antibody-vinca drug conjugates ELI LILLY AND COMPANY (US) 1991-04-09 US disclosed
EP-0354728-A2 Cytotoxic drug conjugates ELI LILLY AND COMPANY (US) 1990-02-14 EP disclosed