SCHEMBL9493940

SCHEMBL9493940

Cc1noc(C)c1CSc1ccccc1CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ TSHR P16473 3/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ P2RX7 Q99572 4/20 0.49
▸ MAPT P10636 2/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ ALOX15 P16050 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ RIN1 Q13671 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ PLA2G1B P04054 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ATG4B Q9Y4P1 1/20 0.46

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
SCHEMBL9493679 0.79 PTGS2 (0.51) SMN1; SMN2LMNATSHRKMT2AMAPT
SCHEMBL14678580 0.77 DAO (0.49) ALDH1A1SMN1; SMN2LMNATSHRKMT2A
SCHEMBL9333361 0.74 KMT2A (0.58) ALDH1A1SMN1; SMN2LMNATSHRKMT2A
SCHEMBL9336087 0.74 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNATSHRKMT2A
SCHEMBL9333346 0.74 KMT2A (0.58) ALDH1A1SMN1; SMN2LMNATSHRKMT2A
SCHEMBL9336092 0.74 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNATSHRKMT2A
SCHEMBL2172793 0.73 P2RX7 (0.49) ALDH1A1KMT2AL3MBTL1P2RX7GAA
SCHEMBL9336249 0.73 CYP2C9 (0.48) TSHRHSD17B10ALOX15HPGDMAPK1
SCHEMBL9333172 0.73 AKR1B1 (0.58) SMN1; SMN2KMT2AHPGDRAB9A
SCHEMBL19745442 0.72 LMNA (1.00) ALDH1A1SMN1; SMN2LMNATSHRKMT2A

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-5264609-A Etherification and hydrolysis SCHERING AGROCHEMICALS LIMITED (GB) 1993-11-23 — — US disclosed
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