SCHEMBL11069381

SCHEMBL11069381

CC(C)[C@H](NC(=O)/C=C/C(=O)c1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 3/20 0.44
AKT1 P31749 1/20 0.44
RECQL P46063 2/20 0.44
POLB P06746 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL11069383 1.00 SMN1; SMN2 (0.48) SMN1; SMN2LMNAGAAHPGDALDH1A1
SCHEMBL10621126 0.84 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHPGDALDH1A1AKT1
SCHEMBL10621121 0.84 SMN1; SMN2 (0.49) SMN1; SMN2LMNAHPGDALDH1A1AKT1
SCHEMBL7425739 0.79 TDP1 (0.65) SMN1; SMN2LMNAGAAHPGDALDH1A1
SCHEMBL7425727 0.79 TDP1 (0.65) SMN1; SMN2LMNAGAAHPGDALDH1A1
SCHEMBL9435294 0.77 MAPT (0.48) SMN1; SMN2LMNAGAAHPGDALDH1A1
SCHEMBL1168553 0.76 SLC1A2 (0.66) SMN1; SMN2LMNAGAAHPGDALDH1A1
SCHEMBL9462009 0.76 SLC1A2 (0.66) SMN1; SMN2LMNAGAAHPGDALDH1A1
SCHEMBL1168551 0.76 SLC1A2 (0.66) SMN1; SMN2LMNAGAAHPGDALDH1A1
SCHEMBL14397456 0.75 LMNA (0.54) SMN1; SMN2LMNAGAAHPGDALDH1A1

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-4435329-A ANTIHYPERTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1984-03-06 US disclosed