SCHEMBL20053829

SCHEMBL20053829

O=C(O)CCCc1ccc(N2CCCC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TDP1 Q9NUW8 1/20 0.51
USP2 O75604 1/20 0.50
MAPT P10636 2/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 3/20 0.49
S1PR1 P21453 1/20 0.48
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47

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
SCHEMBL5727192 0.91 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TDP1USP2MAPT
SCHEMBL5124270 0.82 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2TDP1USP2MAPT
SCHEMBL17507087 0.82 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2USP2MAPTLMNA
SCHEMBL6597563 0.81 USP2 (0.56) ALDH1A1USP2MAPTLMNAHPGD
SCHEMBL1907807 0.80 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2USP2MAPTLMNA
SCHEMBL6788342 0.79 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2USP2MAPTLMNA
SCHEMBL20053772 0.79 RXRA (0.56) ALDH1A1RXRARXRBRXRGSMN1; SMN2
SCHEMBL10553855 0.78 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TDP1MAPTLMNA
SCHEMBL19144089 0.78 USP2 (0.54) ALDH1A1USP2MAPTLMNAS1PR1
SCHEMBL1675924 0.78 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2USP2MAPTLMNA

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-9943610-B2 Hydrophilic self-immolative linkers and conjugates thereof BIOALLIANCE C.V. (NL) 2018-04-17 US disclosed