SCHEMBL8545207

SCHEMBL8545207

C=CCOC(=O)Nc1ccc(CCCO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RECQL P46063 1/20 0.48
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
MEN1 O00255 1/20 0.45

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
SCHEMBL8867871 0.91 MEN1 (0.47) NPC1RAB9ASMN1; SMN2RECQLTUBB4A
SCHEMBL8589506 0.85 MEN1 (0.47) NPC1RAB9ASMN1; SMN2RECQLTUBB4A
SCHEMBL8867866 0.85 MEN1 (0.47) NPC1RAB9ASMN1; SMN2RECQLTUBB4A
SCHEMBL2464156 0.85 MEN1 (0.49) NPC1RAB9ASMN1; SMN2RECQLTUBB4A
SCHEMBL14349999 0.84 TUBB4A (0.49) NPC1RAB9ASMN1; SMN2RECQLTUBB4A
SCHEMBL9126056 0.84 MEN1 (0.46) NPC1RAB9ASMN1; SMN2RECQLTUBB4A
SCHEMBL991571 0.83 CASP1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2465134 0.81 MEN1 (0.51) NPC1RAB9ASMN1; SMN2RECQLTUBB4A
SCHEMBL6404645 0.81 NPC1 (0.54) NPC1RAB9ASMN1; SMN2RECQLCYP4A11
SCHEMBL19614838 0.81 MEN1 (0.48) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686469-A ANTIINFLAMMATORY AGENTS MILES INC. (US) 1997-11-11 US disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0610745-A2 Novel aminomethylene derivatives as immunosuppressants Bayer Corporation (US) 1994-08-17 EP disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed