SCHEMBL9878124

SCHEMBL9878124

CN(O)C(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.63
ALDH1A1 P00352 2/20 0.63
HPGD P15428 2/20 0.63
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ATM Q13315 1/20 0.60
NPC1 O15118 1/20 0.57
POLB P06746 1/20 0.57
HSP90AA1 P07900 1/20 0.57
RAB9A P51151 1/20 0.57
PARP10 Q53GL7 1/20 0.56
SRD5A2 P31213 2/20 0.55
KDM4E B2RXH2 1/20 0.51
HSD17B1 P14061 2/20 0.51
HSD17B2 P37059 2/20 0.51

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
SCHEMBL11486845 0.87 SMN1; SMN2 (0.85) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL9876838 0.84 AKR1C3 (0.64) SMN1; SMN2ALDH1A1NPC1PARP10KDM4E
SCHEMBL10412775 0.84 PKM (0.64) MEN1KMT2AATMNPC1RAB9A
SCHEMBL19533698 0.82 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL125680 0.82 HSP90AA1 (0.54) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL3282793 0.79 HPGD (0.50) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL23169174 0.79 MAPT (0.61) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL3305633 0.79 HPGD (0.62) ALDH1A1HPGDMEN1KMT2AATM
SCHEMBL12528013 0.78 HSD17B1 (0.59) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL9877598 0.78 ALOX5 (0.68) PARP10SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5036157-A Hydroxamic acid derivatives, lipoxygenase and cyclooxygenase inhibitors, anticoagulants, antiinflammatory agents BURROUGHS WELLCOME CO. 1991-07-30 US disclosed
US-4977188-A Hydroamic acid derivatives BURROUGHS WELLCOME CO. (US) 1990-12-11 US disclosed
WO-1990001929-A1 NEW MEDICAL USE THE WELLCOME FOUNDATION LIMITED (GB) 1990-03-08 WO disclosed
US-4738986-A CYCLOOXYGENASE, LIDOXYGENASE INHIBITORS BURROUGHS WELLCOME CO. (US) 1988-04-19 US disclosed
EP-0196184-A2 Aryl derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1986-10-01 EP disclosed