SCHEMBL6586461

SCHEMBL6586461

Cc1cc(C2=CCNCC2)ccc1-c1ccc2c(c1)CCO2

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.44
QDPR P09417 3/20 0.44
CD274 Q9NZQ7 1/20 0.41
HTR2C P28335 7/20 0.41
SIGMAR1 Q99720 2/20 0.41
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
DYRK1A Q13627 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
KHK P50053 2/20 0.39
FABP4 P15090 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
SCHEMBL6584726 0.82 QDPR (0.46) QDPRCD274HTR2CSIGMAR1BRD4
SCHEMBL6584948 0.78 SIGMAR1 (0.65) QDPRHTR2CSIGMAR1KHK
SCHEMBL6587136 0.75 DYRK1A (0.46) BRD4CREBBPDYRK1AFABP4
SCHEMBL7804971 0.74 QDPR (0.57) QDPRCD274HTR2CSIGMAR1PRMT5
SCHEMBL6586022 0.74 SIGMAR1 (0.52) QDPRHTR2CSIGMAR1
SCHEMBL14956908 0.74 QDPR (0.60) QDPRHTR2CSIGMAR1KHK
SCHEMBL27007773 0.73 QDPR (0.47) QDPRHTR2CSIGMAR1KHK
SCHEMBL6586935 0.73 QDPR (0.50) QDPRCD274HTR2CSIGMAR1KHK
SCHEMBL6585457 0.72 HTR2C (0.76) QDPRHTR2CSIGMAR1
SCHEMBL27025885 0.72 QDPR (0.48) QDPRHTR2CSIGMAR1KHK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1036062-B1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LTD (GB) 2004-01-02 EP disclosed
US-6495568-B1 TREATMENT OF TISSUE ULCERATION, WOUND REPAIR AND SKIN DISEASES WARNER-LAMBERT COMPANY 2002-12-17 US disclosed
EP-1036062-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS Pfizer Limited (GB) 2000-09-20 EP disclosed
WO-1999029667-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE (MMP) INHIBITORS PFIZER LIMITED (GB) 1999-06-17 WO disclosed