SCHEMBL20053772

SCHEMBL20053772

O=C(O)CCCc1ccc(N2C(=O)CCC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.56
RXRB P28702 2/20 0.56
RXRG P48443 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
HDAC3 O15379 1/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
HDAC4 P56524 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53

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
SCHEMBL10082606 0.86 GLA (0.50) RXRARXRBRXRGSMN1; SMN2CA12
SCHEMBL8510655 0.84 MGLL (0.49) RXRARXRBRXRGSMN1; SMN2HDAC3
SCHEMBL514697 0.82 MGLL (0.59) RXRARXRBRXRGSMN1; SMN2HDAC3
SCHEMBL10067001 0.82 GLA (0.47) RXRARXRBRXRGSMN1; SMN2CA12
Hydrochloric Acid SCHEMBL28737900 0.81 MGLL (0.58) RXRARXRBRXRGSMN1; SMN2HDAC3
SCHEMBL15867924 0.80 KMT2A (0.42) RXRARXRBRXRGSMN1; SMN2CA12
SCHEMBL17449519 0.80 KMT2A (0.42) RXRARXRBRXRGSMN1; SMN2CA12
SCHEMBL22184094 0.80 CA12 (0.59) CA12CA1CA9KMT2AHPGD
Hydrazine SCHEMBL27822007 0.79 MGLL (0.56) RXRARXRBRXRGSMN1; SMN2HDAC3
SCHEMBL20053829 0.79 ALDH1A1 (0.59) RXRARXRBRXRGSMN1; SMN2HDAC3

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
US-9950077-B2 Anti-folate receptor alpha (FRA) antibody-drug conjugates and methods of using thereof BIOALLIANCE C.V. (NL) 2018-04-24 US disclosed
US-9943610-B2 Hydrophilic self-immolative linkers and conjugates thereof BIOALLIANCE C.V. (NL) 2018-04-17 US disclosed