SCHEMBL7413029

SCHEMBL7413029

CCC[C@@H](NC(=O)Nc1ccc(C)cc1)C(=S)NO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 7/20 0.58
AURKA O14965 1/20 0.44
NTRK1 P04629 1/20 0.44
RAB9A P51151 2/20 0.43
ANPEP P15144 1/20 0.42
NPC1 O15118 2/20 0.42
CASR P41180 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CCR6 P51684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL19987408 0.76 PKM (0.57) FPR2RAB9ANPC1CASRALDH1A1
SCHEMBL14902577 0.75 FPR2 (0.77) FPR2RAB9AANPEP
SCHEMBL14948917 0.73 FPR2 (1.00) FPR2RAB9AMAPTSMN1; SMN2POLB
SCHEMBL7463584 0.73 ANPEP (0.54) FPR2ANPEPNPC1POLB
SCHEMBL14889982 0.73 FPR2 (1.00) FPR2RAB9AMAPTSMN1; SMN2POLB
SCHEMBL7413031 0.73 RAB9A (0.49) FPR2RAB9ANPC1CASRALDH1A1
SCHEMBL16008281 0.72 FPR2 (0.77) FPR2RAB9ASMN1; SMN2POLB
SCHEMBL15312448 0.72 FPR2 (0.77) FPR2RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL14937848 0.72 FPR2 (0.77) FPR2RAB9AALDH1A1SMN1; SMN2POLB
SCHEMBL23453327 0.71 PKM (0.69) FPR2RAB9ANPC1CASRALDH1A1

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