SCHEMBL11732188

SCHEMBL11732188

CC(C)OC(=O)N1CCN(C(=O)NC(C(=O)O)c2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 3/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ RBP4 P02753 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LTA4H P09960 1/20 0.36
▸ ANPEP P15144 1/20 0.36
▸ CCKBR P32239 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36
▸ HDAC5 Q9UQL6 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
SCHEMBL11734999 0.95 ATM (0.39) ATMSCN9ASCN10AMEN1KMT2A
SCHEMBL11730781 0.84 MGLL (0.44) ATMMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11732699 0.84 MEN1 (0.41) ATMMEN1KMT2ARBP4ALDH1A1
SCHEMBL11733894 0.83 KMT2A (0.42) ATMMEN1KMT2ARBP4ALDH1A1
SCHEMBL11730787 0.83 KMT2A (0.42) ATMMEN1KMT2ARBP4ALDH1A1
SCHEMBL11734855 0.82 ATM (0.40) ATMMEN1KMT2ARBP4ALDH1A1
SCHEMBL11731937 0.81 KMT2A (0.42) ATMMEN1KMT2ARBP4ALDH1A1
SCHEMBL11733940 0.81 RBP4 (0.39) ATMMEN1KMT2ARBP4ALDH1A1
SCHEMBL11735741 0.81 RBP4 (0.39) ATMMEN1KMT2ARBP4ALDH1A1
SCHEMBL11728167 0.80 KMT2A (0.43) ATMMEN1KMT2ARBP4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4009272-A ANTIBIOTIC BAYER AKTIENGESELLSCHAFT (DT) 1977-02-22 — — US disclosed
US-3983105-A Penicillins BAYER AKTIENGESELLSCHAFT (DT) 1976-09-28 — — US disclosed
US-3978056-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 — — US disclosed
US-3975375-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 — — US disclosed
US-3974142-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 — — US disclosed
US-3974141-A IMIDAZOLIDINYL-CARBAMIDOBACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 — — US disclosed
US-3972869-A Penicillins BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 — — US disclosed
US-3972870-A IMIDAZOLIDINYL-CARBAMIDO-BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-03 — — US disclosed
Send feedback