SCHEMBL9446009

SCHEMBL9446009

CCOP(=O)(OCC)c1cccc(CNCC(=O)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HDAC1 Q13547 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ MEP1B Q16820 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ MMP13 P45452 1/20 0.36

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
SCHEMBL9445917 0.82 HDAC1 (0.41) MEN1KMT2AALDH1A1KDM4EHDAC1
SCHEMBL14809781 0.76 MEN1 (0.43) POLBMEN1KMT2AALDH1A1NPSR1
SCHEMBL4411677 0.76 NPSR1 (0.47) POLBMEN1KMT2ANPSR1LTA4H
SCHEMBL12229683 0.76 POLB (0.53) POLBMEN1KMT2AALDH1A1NPSR1
SCHEMBL14809313 0.75 MEN1 (0.48) POLBMEN1KMT2ANPSR1LTA4H
SCHEMBL1279290 0.75 SLC2A4 (0.51) MEN1KMT2AKDM4EMEP1BMAPT
SCHEMBL9446003 0.74 KDM4E (0.54) MEN1KMT2AKDM4EHDAC1MEP1B
SCHEMBL16702357 0.74 MEN1 (0.48) POLBMEN1KMT2AALDH1A1
SCHEMBL13194411 0.74 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4EHDAC1
SCHEMBL3912954 0.74 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4EHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5179085-A Cerebrovascular disorders WARNER-LAMBERT COMPANY (US) 1993-01-12 — — US disclosed
Send feedback