SCHEMBL10466629

SCHEMBL10466629

COc1ccc(C[C@H]2NC(=O)[C@@H](CCSC)NC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.44
MMP9 P14780 3/20 0.44
MMP3 P08254 1/20 0.44
GLA P06280 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HRH3 Q9Y5N1 2/20 0.39
TACR2 P21452 1/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL16500666 0.82 GAA (0.53) HRH3HDAC8
SCHEMBL12065126 0.82 GAA (0.53) HRH3HDAC8
SCHEMBL10467641 0.82 GAA (0.53) HRH3HDAC8
SCHEMBL10467651 0.78 CXCR4 (0.47) TACR2
SCHEMBL10467652 0.78 CXCR4 (0.47) TACR2
SCHEMBL24608268 0.78 HDAC8 (0.53) HDAC8HDAC4HDAC1HDAC6
SCHEMBL13399687 0.78 HDAC8 (0.53) HDAC8HDAC4HDAC1HDAC6
SCHEMBL13399246 0.78 HDAC8 (0.53) HDAC8HDAC4HDAC1HDAC6
SCHEMBL13399551 0.78 HDAC8 (0.53) HDAC8HDAC4HDAC1HDAC6
SCHEMBL1146928 0.78 HDAC8 (0.53) HDAC8HDAC4HDAC1HDAC6

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
US-4940709-A PLATELET ACTIVATING FACTOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-07-10 US disclosed
EP-0181152-B1 PIPERAZINE COMPOUND AS PAF-ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-13 EP disclosed
US-4806538-A ANTICOAGULANT, HYPOTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-02-21 US disclosed
EP-0181152-A1 Piperazine compound as PAF-antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-05-14 EP disclosed