SCHEMBL9168644

SCHEMBL9168644

CCCCCCCCCCCCCCCCCC(=O)Nc1cccc(N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOAT2 O75908 1/20 0.54
▸ SOAT1 P35610 1/20 0.54
▸ LMNA P02545 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ ICMT O60725 2/20 0.51
▸ ALB P02768 2/20 0.51
▸ POLB P06746 1/20 0.51
▸ HDAC8 Q9BY41 6/20 0.50
▸ HDAC3 O15379 4/20 0.50
▸ HDAC6 Q9UBN7 4/20 0.50
▸ HDAC1 Q13547 3/20 0.50
▸ HDAC2 Q92769 3/20 0.50
▸ HDAC10 Q969S8 2/20 0.50
▸ HDAC11 Q96DB2 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ HDAC4 P56524 1/20 0.50

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
SCHEMBL9162956 0.93 EPHX2 (0.49) SOAT2SOAT1LMNANPC1RAB9A
SCHEMBL9171768 0.93 SOAT2 (0.67) SOAT2SOAT1LMNANPC1RAB9A
SCHEMBL9171776 0.93 SOAT2 (0.67) SOAT2SOAT1LMNANPC1RAB9A
SCHEMBL9417384 0.91 SOAT2 (0.64) SOAT2SOAT1MEN1KMT2AKDM4E
SCHEMBL9417389 0.91 SOAT2 (0.64) SOAT2SOAT1MEN1KMT2AKDM4E
SCHEMBL9621976 0.88 HDAC3 (0.59) SOAT2SOAT1LMNANPC1RAB9A
SCHEMBL9621940 0.88 HDAC3 (0.59) SOAT2SOAT1LMNANPC1RAB9A
SCHEMBL9621938 0.88 HDAC3 (0.59) SOAT2SOAT1LMNANPC1RAB9A
SCHEMBL9417598 0.88 EPHX2 (0.53) SOAT2SOAT1LMNANPC1RAB9A
SCHEMBL30020925 0.87 LMNA (0.54) SOAT2SOAT1LMNANPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446189-A Diester intermediates for diacid enzyme inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-08-29 — — US disclosed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 — — US disclosed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 — — EP disclosed
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