SCHEMBL8424170

SCHEMBL8424170

CCOC(=O)C1CCOC(CSc2ccc(Oc3ccc(Br)cc3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.49
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ FPR2 P25090 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CCR8 P51685 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL8423588 0.90 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHSD17B10POLB
SCHEMBL8424025 0.86 ALDH1A1 (0.42) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL8424066 0.79 HPGD (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8425464 0.75 S1PR5 (0.44) ALDH1A1MEN1KMT2ATSHRL3MBTL1
SCHEMBL8423721 0.75 ALDH1A1 (0.39) ALDH1A1HSD17B10SMN1; SMN2L3MBTL1
SCHEMBL8427523 0.74 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAAGPR119
SCHEMBL31151805 0.73 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AGAAHSD17B10
SCHEMBL14720687 0.73 SMN1; SMN2 (0.42) ALDH1A1MEN1KMT2AGAAPOLB
SCHEMBL6858259 0.68 ADAM17 (0.47) —
SCHEMBL8424173 0.67 ALDH1A1 (0.36) ALDH1A1HSD17B10POLBSMN1; SMN2MAPT

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-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 — — US disclosed
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