SCHEMBL9679488

SCHEMBL9679488

CCC(C)(C(=O)c1ccc(N2CCOCC2)c(SC)c1)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.47
ALDH1A1 P00352 7/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 3/20 0.43
LMNA P02545 4/20 0.39
HPGD P15428 2/20 0.39
RECQL P46063 1/20 0.39
TP53 P04637 1/20 0.37
ALOX15 P16050 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.36
MTOR P42345 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36

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
SCHEMBL96864 0.80 ALDH1A1 (0.73) SMN1; SMN2ALDH1A1TSHRMAPK1LMNA
SCHEMBL9679943 0.80 GSK3B (0.51) SMN1; SMN2ALDH1A1TSHRMAPK1NPC1
SCHEMBL96865 0.75 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1TSHRMAPK1HPGD
SCHEMBL9793482 0.74 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TSHRMAPK1NPC1
SCHEMBL9679459 0.74 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1TSHRMAPK1NPC1
SCHEMBL10886140 0.74 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TSHRMAPK1NPC1
SCHEMBL9681338 0.74 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TSHRMAPK1LMNA
SCHEMBL10888193 0.74 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TSHRMAPK1NPC1
SCHEMBL9681616 0.72 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1TSHRMAPK1LMNA
SCHEMBL9681168 0.72 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1TSHRMAPK1NPC1

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-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed