SCHEMBL9877335

SCHEMBL9877335

Cc1ccc(C=CC(=O)N(C)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.60
MAPT P10636 3/20 0.56
RAB9A P51151 2/20 0.54
KMT2A Q03164 1/20 0.54
FOS P01100 1/20 0.53
JUN P05412 1/20 0.53
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
POLB P06746 1/20 0.50
ALOX5 P09917 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL9302651 0.83 TRPM8 (0.58) TRPM8MAPTRAB9AKMT2AFOS
SCHEMBL10569133 0.83 HSD11B1 (0.60) MAPTKMT2AMAOAMAOBALOX5
SCHEMBL9302644 0.83 TRPM8 (0.58) TRPM8MAPTRAB9AKMT2AFOS
SCHEMBL10457551 0.82 ALOX5 (0.67) TRPM8MAPTRAB9AKMT2AALDH1A1
SCHEMBL8993860 0.82 ALOX5 (0.67) TRPM8MAPTRAB9AKMT2AALDH1A1
SCHEMBL10777127 0.80 TRPM8 (0.55) TRPM8MAPTRAB9AKMT2AFOS
SCHEMBL9877155 0.80 HDAC2 (0.57) TRPM8ALOX5PTGS1PTGS2
SCHEMBL6009904 0.80 ALOX5 (0.63) TRPM8MAPTRAB9AKMT2AALDH1A1
SCHEMBL6009895 0.80 ALOX5 (0.63) TRPM8MAPTRAB9AKMT2AALDH1A1
SCHEMBL10554666 0.79 TRPM8 (0.54) TRPM8MAPTRAB9AKMT2AFOS

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 6 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-4820828-A BRONCHODILATOR AGENTS, ENZYME INHIBITORS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-04-11 US 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