SCHEMBL6948585

SCHEMBL6948585

O=C(CCl)[C@@H](CSc1ccccc1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ HTT P42858 3/20 0.43
▸ PAX8 Q06710 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ MTNR1A P48039 3/20 0.38
▸ MTNR1B P49286 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ CTSL P07711 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL6944345 1.00 RAB9A (0.43) RAB9AALDH1A1NPC1HTTPAX8
SCHEMBL6946996 0.86 MTNR1A (0.41) RAB9AALDH1A1NPC1HTTPAX8
SCHEMBL6951197 0.86 MTNR1A (0.41) RAB9AALDH1A1NPC1HTTPAX8
SCHEMBL6946909 0.81 MTNR1A (0.44) RAB9AALDH1A1NPC1HTTPAX8
SCHEMBL6950839 0.81 MTNR1A (0.44) RAB9AALDH1A1NPC1HTTPAX8
SCHEMBL6947458 0.81 ALDH1A1 (0.45) RAB9AALDH1A1NPC1HTTPAX8
SCHEMBL6950290 0.81 ALDH1A1 (0.45) RAB9AALDH1A1NPC1HTTPAX8
SCHEMBL6950297 0.77 MTNR1A (0.40) RAB9AALDH1A1NPC1HTTPAX8
SCHEMBL6945466 0.77 MTNR1A (0.40) RAB9AALDH1A1NPC1HTTPAX8
SCHEMBL5343617 0.73 MEN1 (0.38) RAB9AALDH1A1NPC1HTTPAX8

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
EP-0827943-B1 PROCESSES FOR THE REDUCTION OF CARBONYL COMPOUNDS KANEKA CORP (JP) 2003-05-21 — — EP claimed
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