SCHEMBL21389341

SCHEMBL21389341

CNCCC(=O)NC1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.56
HDAC3 O15379 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
NCOR2 Q9Y618 1/20 0.55
NPSR1 Q6W5P4 1/20 0.52
EPHX1 P07099 2/20 0.50
EPHX2 P34913 2/20 0.50
SMYD3 Q9H7B4 1/20 0.50
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 1/20 0.50

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
Hydrochloric Acid SCHEMBL2017491 0.90 SMYD3 (0.55) SMN1; SMN2ALDH1A1HPGDHDAC3HDAC1
SCHEMBL19334411 0.84 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1HPGDHDAC3HDAC1
SCHEMBL27441717 0.81 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1HPGDHDAC3HDAC1
SCHEMBL10587847 0.81 ALDH1A1 (0.83) SMN1; SMN2ALDH1A1HPGDHDAC3HDAC1
SCHEMBL27440891 0.79 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1HPGDHDAC3HDAC1
SCHEMBL24322791 0.79 LMNA (0.58) SMN1; SMN2ALDH1A1HPGDHDAC3HDAC1
SCHEMBL2752779 0.79 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1HPGDHDAC3HDAC1
Hydrochloric Acid SCHEMBL2022247 0.78 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1HPGDHDAC3HDAC1
SCHEMBL2018034 0.78 LMNA (0.61) SMN1; SMN2ALDH1A1HPGDNPSR1EPHX1
SCHEMBL11804456 0.78 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1HPGDHDAC3HDAC1

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
WO-2019183577-A1 MODULATORS OF G-PROTEIN COUPLED RECEPTORS CARMOT THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed