SCHEMBL9707333

SCHEMBL9707333

CN(O)C(=O)c1cccc(COc2cccc3ccccc23)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 8/20 0.70
▸ HPGD P15428 5/20 0.61
▸ MAPT P10636 4/20 0.61
▸ NPC1 O15118 4/20 0.61
▸ RAB9A P51151 4/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.61
▸ LMNA P02545 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ LTB4R Q15722 2/20 0.53
▸ F2 P00734 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ GAA P10253 1/20 0.52
▸ HTT P42858 1/20 0.49
▸ MDM2 Q00987 1/20 0.49
▸ GPR55 Q9Y2T6 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MITF O75030 1/20 0.48
▸ TP53 P04637 1/20 0.48

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
SCHEMBL22480783 0.83 MRGPRX4 (1.00) MRGPRX4HPGDMAPTNPC1RAB9A
SCHEMBL9877476 0.81 PTGER1 (0.56) MRGPRX4HPGDMAPTNPC1RAB9A
SCHEMBL9707413 0.81 MRGPRX4 (0.70) MRGPRX4MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12600468 0.76 MRGPRX4 (0.57) MRGPRX4HPGDMAPTNPC1RAB9A
SCHEMBL10466517 0.75 MAOB (0.69) MEN1KMT2A
SCHEMBL25690631 0.74 MRGPRX4 (0.61) MRGPRX4HPGDMAPTNPC1RAB9A
SCHEMBL12600485 0.74 MRGPRX4 (0.58) MRGPRX4HPGDMAPTNPC1RAB9A
SCHEMBL27629 0.73 MRGPRX4 (0.67) MRGPRX4HPGDMAPTNPC1RAB9A
SCHEMBL29568609 0.73 MRGPRX4 (0.67) MRGPRX4HPGDMAPTNPC1RAB9A
SCHEMBL10617228 0.73 TSHR (0.71) HPGDMAPTSMN1; SMN2LMNAALDH1A1

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
Send feedback