SCHEMBL7971960

SCHEMBL7971960

COc1ccc(OC(=O)C(=O)O)c2sc(N3CCN(C(=O)OC(C)(C)C)CC3)nc12

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.64
MAPT P10636 8/20 0.58
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.51
HMOX1 P09601 1/20 0.50
HMOX2 P30519 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.43
SMPD3 Q9NY59 1/20 0.41

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
SCHEMBL6171654 0.86 TP53 (0.64) TP53MAPTALOX15HSD17B10ALDH1A1
SCHEMBL6173640 0.85 TP53 (0.65) TP53MAPTALOX15HSD17B10ALDH1A1
SCHEMBL6173220 0.77 TP53 (0.54) TP53MAPTALOX15HSD17B10ALDH1A1
SCHEMBL20795032 0.73 TP53 (0.49) TP53MAPTLMNASMPD3
SCHEMBL30266337 0.71 TP53 (0.49) TP53MAPTALDH1A1TSHRLMNA
SCHEMBL21326439 0.71 TP53 (0.49) TP53MAPTALDH1A1TSHRLMNA
SCHEMBL20767907 0.70 NPC1 (0.50) TP53MAPTALDH1A1LMNA
SCHEMBL6172259 0.69 TP53 (0.60) TP53MAPTALOX15HSD17B10ALDH1A1
SCHEMBL20767946 0.69 MAPT (0.74) TP53MAPTTSHRSMN1; SMN2L3MBTL1
SCHEMBL20767921 0.69 NPC1 (0.48) TP53MAPTLMNA

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-6313116-B1 PHOSPHODIESTERASE INHIBITORS DARWIN DISCOVERY, LTD. (GB) 2001-11-06 US claimed