SCHEMBL10464513

SCHEMBL10464513

CC(=Cc1ccc(C(=O)N2CCOCC2)cc1)c1ccc(C(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ HPGD P15428 4/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ PHGDH O43175 1/20 0.52
▸ HSP90AA1 P07900 1/20 0.50
▸ HSP90AB1 P08238 1/20 0.50
▸ AKR1C3 P42330 1/20 0.48
▸ FKBP1A P62942 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ PKM P14618 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
SCHEMBL104961 0.87 ALDH1A1 (0.71) ALDH1A1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL12920008 0.81 ALDH1A1 (0.72) ALDH1A1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL10495198 0.76 ALDH1A1 (0.89) ALDH1A1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL23080824 0.76 PHGDH (0.59) ALDH1A1KMT2AL3MBTL1SMN1; SMN2LMNA
SCHEMBL10464492 0.75 ALDH1A1 (0.55) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10464493 0.75 ALDH1A1 (0.55) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10464490 0.75 ALDH1A1 (0.55) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL14358433 0.75 PHGDH (0.67) ALDH1A1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL14361896 0.75 PHGDH (0.67) ALDH1A1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL10720943 0.74 PHGDH (0.81) ALDH1A1KMT2AL3MBTL1SMN1; SMN2HPGD

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-4929635-A WOUND HEALING AGENTS, SKIN DISORDERS LABORATOIRES CHAUVIN-BLACHE (FR) 1990-05-29 — — US disclosed
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