SCHEMBL6594387

SCHEMBL6594387

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(O)cc1O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.61
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
GPR55 Q9Y2T6 1/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL6941699 0.86 P2RX7 (0.70) P2RX7GPR55MEN1USP2KMT2A
SCHEMBL6941223 0.86 P2RX7 (0.70) P2RX7CA12CA9GPR55
SCHEMBL6939890 0.84 P2RX7 (0.70) P2RX7CA12CA9GPR55MEN1
SCHEMBL6939404 0.84 P2RX7 (0.72) P2RX7GPR55
SCHEMBL6939213 0.81 P2RX7 (0.59) P2RX7CA12CA9GPR55
SCHEMBL12932448 0.81 P2RX7 (0.75) P2RX7CA12CA9GPR55MEN1
SCHEMBL6941695 0.78 P2RX7 (0.65) P2RX7CA12CA9GPR55MEN1
SCHEMBL4357793 0.76 EPHX2 (0.70) MEN1KMT2A
SCHEMBL6940565 0.76 P2RX7 (1.00) P2RX7MEN1USP2KMT2A
SCHEMBL6940510 0.76 P2RX7 (0.72) P2RX7CA12CA9GPR55MEN1

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-1230227-B1 BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS NOVARTIS AG (CH) 2004-06-23 EP disclosed
US-6716865-B1 SUBSTITUTED AT THE 2 POSITION; A SULFAMATE BOUND VIA OXYGEN TO THE PHENYL PART OF THE RING STRUCTURE; SULFAMOYLATION; STEROID SULFATASE INHIBITOR, ACNE NOVARTIS AG (CH) 2004-04-06 US disclosed
EP-1230227-A1 BENZOXA-AND BENZOTHIAZOLYL SULFAMATES AND THEIR USE AS STEROID SULFATASE INHIBITORS Novartis AG (CH) 2002-08-14 EP disclosed
WO-2001036398-A1 BENZOXA- AND BENZTHIAZOLES NOVARTIS AG (CH) 2001-05-25 WO disclosed