SCHEMBL10982270

SCHEMBL10982270

CSCCC(=O)NC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ ALDH1A1 P00352 1/20 0.59
▸ HPGD P15428 6/20 0.58
▸ TSHR P16473 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.53
▸ EPHX1 P07099 3/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ HDAC3 O15379 2/20 0.51
▸ HDAC1 Q13547 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ HDAC10 Q969S8 2/20 0.51
▸ HDAC11 Q96DB2 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ NCOR2 Q9Y618 1/20 0.51
▸ LMNA P02545 2/20 0.49
▸ POLB P06746 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
SCHEMBL4894134 0.94 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1HPGDTSHRNPSR1
SCHEMBL23080295 0.90 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDTSHRNPSR1
SCHEMBL9516460 0.85 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1HPGDTSHRNPSR1
SCHEMBL27334398 0.84 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1HPGDTSHRNPSR1
SCHEMBL13638135 0.82 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1HPGDTSHRNPSR1
SCHEMBL10587847 0.82 ALDH1A1 (0.83) SMN1; SMN2ALDH1A1HPGDNPSR1EPHX1
SCHEMBL19308752 0.81 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1HPGDTSHRNPSR1
SCHEMBL19308746 0.81 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1HPGDTSHRNPSR1
SCHEMBL13638136 0.81 LMNA (0.60) SMN1; SMN2ALDH1A1HPGDTSHRNPSR1
SCHEMBL11804456 0.79 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1HPGDNPSR1EPHX1

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
JP-60004163-A — — None — — JP disclosed
JP-S604163-A SULFIDE COMPOUND TAIHO YAKUHIN KOGYO KK 1985-01-10 — — JP disclosed
Send feedback