SCHEMBL9620102

SCHEMBL9620102

O=C(NC(C(=O)O)c1ccc2[nH]c(C(F)(F)F)nc2c1)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
AAK1 Q2M2I8 4/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
PPARG P37231 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
ACP1 P24666 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL9619935 0.82 KDM4E (0.43) AAK1CTSSACP1NPSR1
SCHEMBL434233 0.73 ATM (0.77) ATMCTSLCTSSPPARG
SCHEMBL7719287 0.73 ATM (0.77) ATMCTSLCTSSPPARG
SCHEMBL3255533 0.73 ATM (0.77) ATMCTSLCTSSPPARG
SCHEMBL1362502 0.73 ATM (0.77) ATMCTSLCTSSPPARG
SCHEMBL28224943 0.72 ATM (0.64) ATMCTSLCTSS
SCHEMBL28224944 0.72 ATM (0.64) ATMCTSLCTSS
SCHEMBL5742261 0.72 ATM (0.67) ATMCTSLCTSS
SCHEMBL5742255 0.72 ATM (0.67) ATMCTSLCTSS
SCHEMBL17765000 0.72 ATM (0.67) ATMCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE33948-E Bactericides, animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed
US-4748163-A Novel β-lactam antibiotics BAYER AKTIENGESELLSCHAFT (DE) 1988-05-31 US disclosed
EP-0195947-A2 Beta-lactam antibiotics, process for their preparation and their use as and in medicaments BAYER AG (DE) 1986-10-01 EP disclosed