SCHEMBL9707541

SCHEMBL9707541

CC(C)(C)C(=O)N(O)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.59
TAAR1 Q96RJ0 1/20 0.50
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
PTGS1 P23219 2/20 0.46
ABCC4 O15439 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
ALOX5 P09917 2/20 0.45
PTGES O14684 1/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MMP3 P08254 1/20 0.43

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
SCHEMBL26154407 0.91 RIPK1 (0.51) RIPK1TAAR1MMEACEPTGS1
SCHEMBL7800481 0.90 RIPK1 (0.72) RIPK1PTGS1LMNAHTTPOLB
SCHEMBL25201520 0.83 RIPK1 (0.55) RIPK1PTGS1GAAPOLBALOX5
SCHEMBL9707312 0.81 PTGS1 (0.62) RIPK1TAAR1PTGS1ABCC4LMNA
SCHEMBL9877530 0.80 NPC1 (0.48) RIPK1TAAR1MMEACEPTGS1
SCHEMBL9707377 0.79 ALOX5 (0.72) RIPK1PTGS1ALOX5FFAR1PTGS2
SCHEMBL25201751 0.78 KIF11 (0.46) RIPK1ALOX5PTGES
SCHEMBL25196213 0.78 RIPK1 (0.58) RIPK1LMNAGAAMEN1KMT2A
SCHEMBL25189833 0.78 RIPK1 (0.47) RIPK1TAAR1MMEACEPTGS1
SCHEMBL9876964 0.77 TAAR1 (0.50) RIPK1TAAR1MMEACEPTGS1

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
EP-0196184-B1 ARYL DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1992-09-16 EP disclosed
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