SCHEMBL7470170

SCHEMBL7470170

CC(C)(C)c1csc(COc2cccc(C(=O)O)c2)n1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 10/20 0.56
NR4A1 P22736 2/20 0.56
NR4A3 Q92570 2/20 0.56
GPBAR1 Q8TDU6 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
KMT2A Q03164 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
VDR P11473 1/20 0.46
PPARG P37231 2/20 0.45
PPARD Q03181 1/20 0.44

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
SCHEMBL27478197 0.88 CYSLTR1 (0.52) NR4A2NR4A1NR4A3CYSLTR1MRGPRX4
Hydrochloric Acid SCHEMBL7473585 0.87 KMT2A (0.51) NR4A2NR4A1NR4A3GPBAR1CYSLTR1
SCHEMBL7469540 0.82 MAPT (0.55) NR4A2NR4A1NR4A3GPBAR1KMT2A
SCHEMBL7471939 0.80 MRGPRX4 (0.41) KMT2AMRGPRX4NPC1RAB9APPARG
SCHEMBL7478013 0.80 PPARD (0.58) NR4A2GPBAR1CYSLTR1MRGPRX4NPC1
SCHEMBL7477249 0.79 MAPT (0.46) KMT2ANPC1RAB9APPARD
SCHEMBL7471261 0.79 CA12 (0.49) MRGPRX4
SCHEMBL7471233 0.79 NPC1 (0.44) KMT2AMRGPRX4NPC1RAB9A
SCHEMBL7470860 0.78 ECE1 (0.42) KMT2AMRGPRX4NPC1RAB9A
SCHEMBL7472058 0.78 MEN1 (0.46) KMT2AMRGPRX4NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO disclosed
EP-0786457-B1 AZOLE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2002-05-29 EP disclosed
US-5981559-A USEFUL IN PREVENTING OR TREATING ALLERGIC DISEASES, ISCHEMIC HEART DISEASES OR ISCHEMIC BRAIN DISEASES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0786457-A1 AZOLE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-07-30 EP disclosed