SCHEMBL11117634

SCHEMBL11117634

COC(=O)CCCCCCCNc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HDAC8 Q9BY41 2/20 0.56
LTA4H P09960 6/20 0.55
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52

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
SCHEMBL3142683 0.90 RAB9A (0.62) NPC1RAB9ASMN1; SMN2LTA4HALDH1A1
SCHEMBL810020 0.85 NPC1 (0.61) NPC1RAB9ASMN1; SMN2HDAC8LTA4H
SCHEMBL1472555 0.84 LMNA (0.66) SMN1; SMN2HDAC8ALDH1A1LMNAKDM4E
SCHEMBL10685473 0.83 FFAR1 (0.61) NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL6630458 0.81 RAB9A (0.65) NPC1RAB9ASMN1; SMN2LTA4HALDH1A1
SCHEMBL12685570 0.81 GAA (0.58) NPC1RAB9AHDAC8ALDH1A1LMNA
SCHEMBL11119111 0.81 GAA (0.58) NPC1RAB9AHDAC8ALDH1A1LMNA
SCHEMBL11116358 0.81 GAA (0.58) NPC1RAB9AHDAC8ALDH1A1LMNA
SCHEMBL1860911 0.80 FFAR1 (0.64) NPC1RAB9ASMN1; SMN2LTA4HALDH1A1
SCHEMBL9335386 0.79 RAB9A (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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
EP-0051828-B1 N-BENZOYL-ALPHA-ANILINO ALKANE CARBOXYLIC ACIDS, SALTS AND ESTERS THEREOF, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICAL PREPARATIONS CONTAINING THE SAME A. Nattermann & Cie. GmbH (DE) 1984-03-14 EP disclosed
US-4386031-A ANTICOAGULANTS; ANTIALLERGENS; ANTINFLAM-MATORY AND ANTILIPEMIC AGENTS; ANTIHISTAMINES; CARDIOVASCULAR DISORDERS A. NATTERMANN & CIE GMBH (DE) 1983-05-31 US disclosed
EP-0051828-A1 N-benzoyl-alpha-anilino alkane carboxylic acids, salts and esters thereof, process for producing the same and pharmaceutical preparations containing the same A. Nattermann & Cie. GmbH (DE) 1982-05-19 EP disclosed