SCHEMBL6970415

SCHEMBL6970415

CCn1ccc2cc([C]=O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44
TUBA1C Q9BQE3 2/20 0.44
TUBB6 Q9BUF5 2/20 0.44
TUBB2B Q9BVA1 2/20 0.44
TUBB1 Q9H4B7 2/20 0.44
RORC P51449 2/20 0.40
CYP19A1 P11511 2/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ACACB O00763 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
SCHEMBL14745064 0.83 P2RX7 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30325435 0.83 P2RX7 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6962397 0.77 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6967613 0.77 PRKCI (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11084225 0.74 HTR2A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6962451 0.74 RORC (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3478164 0.73 HTR2A (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14041133 0.73 HTR2C (0.63) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21245721 0.73 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31265088 0.73 PRKCI (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355648-A2 1,2-DISUBSTITUTED CYCLIC INHIBITORS OF MATRIX METALLORPROTEASES AND TNF-$g(a) Bristol-Myers Squibb Pharma Company (US) 2003-10-29 EP disclosed
WO-2002055491-A2 1,2-DISUBSTITUTED CYCLIC INHIBITORS OF MATRIX METALLORPROTEASES AND TNF-$g(a) BRISTOL MYERS SQUIBB COMPANY P (US) 2002-07-18 WO disclosed