SCHEMBL8423589

SCHEMBL8423589

CCOC(=O)C1(Oc2ccc(Cl)cc2)CCOC(CSc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 1/20 0.41
▸ APP P05067 2/20 0.37
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ABCB11 O95342 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ OPRM1 P35372 1/20 0.35

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
SCHEMBL8424173 0.90 ALDH1A1 (0.36) DRD4MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8424068 0.90 DRD4 (0.43) DRD4LMNAALDH1A1L3MBTL1HPGD
SCHEMBL8425466 0.88 DRD4 (0.46) DRD4MAPTLMNAALDH1A1MEN1
SCHEMBL8423725 0.78 HSD17B10 (0.34) DRD4MAPTLMNAMAPK1ALDH1A1
SCHEMBL8424027 0.78 ALDH1A1 (0.36) DRD4MAPTLMNAMAPK1ALDH1A1
SCHEMBL1045763 0.72 MEN1 (0.58) MAPTLMNAABCB11MAPK1ALDH1A1
SCHEMBL8426096 0.72 MMP1 (0.38) MAPTLMNAABCB11ALDH1A1MEN1
SCHEMBL28591389 0.68 KMT2A (0.50) MAPTLMNAABCB11MAPK1ALDH1A1
SCHEMBL8423588 0.67 ALDH1A1 (0.43) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL8425470 0.67 MEN1 (0.42) APPMAPTLMNAALDH1A1MEN1

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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