SCHEMBL7413034

SCHEMBL7413034

CSCCCC(=O)N(O)NC(=O)Nc1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 5/20 0.42
POLB P06746 2/20 0.41
HDAC3 O15379 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC10 Q969S8 3/20 0.41
HDAC11 Q96DB2 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
NCOR2 Q9Y618 2/20 0.40
MAPT P10636 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL7411164 0.76 NPC1 (0.45) RAB9ASMN1; SMN2ALDH1A1NPC1POLB
SCHEMBL8103183 0.75 NPC1 (0.44) RAB9ASMN1; SMN2ALDH1A1NPC1POLB
SCHEMBL13102959 0.69 RAB9A (0.59) RAB9ASMN1; SMN2ALDH1A1NPC1POLB
SCHEMBL1275920 0.68 ALDH1A1 (0.70) RAB9ASMN1; SMN2ALDH1A1NPC1POLB
SCHEMBL17169068 0.67 NPC1 (0.44) RAB9ASMN1; SMN2ALDH1A1NPC1POLB
SCHEMBL20334984 0.66 NPSR1 (0.64) SMN1; SMN2ALDH1A1
SCHEMBL11615245 0.66 NPSR1 (0.64) SMN1; SMN2ALDH1A1
SCHEMBL28904427 0.65 RAB9A (0.54) RAB9ASMN1; SMN2ALDH1A1NPC1POLB
SCHEMBL21597432 0.65 TDP1 (0.59) RAB9ASMN1; SMN2ALDH1A1NPC1POLB
SCHEMBL8646083 0.65 ALDH1A1 (0.68) RAB9ASMN1; SMN2ALDH1A1NPC1POLB

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-6218389-B1 FOR THERAPY AND PROPHYLAXIS OF ARTHRITIS, CANCER, CARDIOVASCULAR DISORDERS; SKIN DISORDERS; OCULAR DISORDERS; INFLAMMATION AND GUM DISEASES, MULTIPLE SCLEROSIS, CACHEXIA, PREVENTING LOOSENING OF PROSTHETIC DEVICES THE PROCTER & GAMBLE CO. 2001-04-17 US disclosed
EP-1009737-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2000-06-21 EP disclosed
WO-1999006340-A2 SULFONYLAMINO SUBSTITUTED HYDROXAMIC ACID DERIVATIVES AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 1999-02-11 WO disclosed