SCHEMBL6370484

SCHEMBL6370484

Cc1ccc(C(=O)CC(CS)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ KMT2A Q03164 6/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ MAPT P10636 3/20 0.54
▸ LMNA P02545 1/20 0.54
▸ POLB P06746 2/20 0.51
▸ MEN1 O00255 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ATM Q13315 1/20 0.48
▸ GSK3B P49841 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ CPA3 P15088 1/20 0.43
▸ FOLH1 Q04609 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
SCHEMBL8775813 0.84 TSHR (0.61) TSHRKMT2AALDH1A1MAPTLMNA
SCHEMBL9545966 0.82 KMT2A (0.59) KMT2AALDH1A1MAPTLMNAPOLB
SCHEMBL19642670 0.80 ALDH1A1 (0.62) TSHRKMT2AALDH1A1MAPTLMNA
SCHEMBL3113026 0.79 KMO (0.63) TSHRKMT2AALDH1A1MAPTLMNA
Esonarimod SCHEMBL3044466 0.78 KMT2A (0.52) TSHRKMT2AALDH1A1MAPTLMNA
Esonarimod SCHEMBL18309833 0.78 KMT2A (0.52) TSHRKMT2AALDH1A1MAPTLMNA
SCHEMBL10782076 0.77 ALDH1A1 (0.58) TSHRKMT2AALDH1A1MAPTLMNA
SCHEMBL8775647 0.77 ALDH1A1 (0.58) TSHRKMT2AALDH1A1MAPTLMNA
SCHEMBL28325791 0.76 TSHR (0.56) TSHRKMT2AALDH1A1MAPTLMNA
SCHEMBL7874903 0.76 KMO (0.68) TSHR

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-20050260748-A1 Adult stem cells and uses thereof MICHIGAN STATE UNIVERSITY 2005-11-24 — — US disclosed
WO-2005085422-A1 ADULT STEM CELLS AND USES THEREOF MICHIGAN STATE UNIVERSITY (US) 2005-09-15 — — WO disclosed
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