SCHEMBL10691802

SCHEMBL10691802

COC(=O)c1ccccc1CSc1nc(C)c(CC(=O)O)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PTPN1 P18031 1/20 0.41
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
CASP6 P55212 1/20 0.40
PTPN11 Q06124 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CXCR2 P25025 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR1 O14842 2/20 0.38

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
SCHEMBL10689661 0.89 ALDH1A1 (0.60) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL10692209 0.80 NPC1 (0.60) PTGDR2ALDH1A1LMNAKMT2AMEN1
SCHEMBL10691153 0.80 LMNA (0.48) PTGDR2ALDH1A1LMNAKMT2AMEN1
SCHEMBL10692046 0.78 NPC1 (0.63) PTGDR2ALDH1A1LMNAKMT2AMEN1
SCHEMBL8545437 0.77 ALDH1A1 (0.38) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL8546689 0.76 ALDH1A1 (0.43) PTGDR2ALDH1A1LMNAKMT2AMEN1
SCHEMBL10691483 0.75 FFAR1 (0.58) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL8546674 0.75 SMN1; SMN2 (0.42) ALDH1A1LMNAKMT2AMEN1NPC1
SCHEMBL9750196 0.74 KMT2A (0.50) PTGDR2ALDH1A1LMNAKMT2AMEN1
SCHEMBL8548073 0.74 ALDH1A1 (0.43) PTGDR2ALDH1A1LMNAKMT2AMEN1

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-4762848-A IMMUNE SYSTEM STIMULANTS, CYTOSTATIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-09 US disclosed