SCHEMBL7730976

SCHEMBL7730976

CC(C)(C)OC(=O)N1C[C@H](N(C(=O)CN)C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCC(Oc2ccc(OCc3ccccc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.44
YAP1 P46937 3/20 0.41
PRMT5 O14744 5/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
USP30 Q70CQ3 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
GHSR Q92847 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL7722094 0.83 GPR119 (0.36) USP30GPR119
SCHEMBL7722244 0.83 GPR119 (0.36) USP30GPR119
SCHEMBL7727252 0.82 KDM4E (0.46) MCL1GHSR
SCHEMBL7727837 0.79 SIGMAR1 (0.43) HSD11B1
SCHEMBL7730641 0.78 NPBWR1 (0.39) GPR119
SCHEMBL76105 0.77 YAP1 (0.60) YAP1PRMT5USP30GPR119
SCHEMBL7728833 0.77 SIRT2 (0.47) GHSR
SCHEMBL7730983 0.77 MCL1 (0.45) MCL1YAP1PRMT5GHSR
SCHEMBL7730981 0.77 MCL1 (0.45) MCL1YAP1PRMT5GHSR
SCHEMBL7730972 0.77 MCL1 (0.45) MCL1YAP1PRMT5GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399629-B1 PYRROLIDINES AND PIPERIDINES FOR TREATING MICROBIAL INFECTIONS BY REDUCING EXPORT OF COADMINISTERED ANTIMICROBIAL AGENT OR COMPOUND SYNTHESIZED BY MICROBES FOR THEIR GROWTH; REDUCING IN VIVO AVAILABILITY MICROCIDE PHARMACEUTICALS, INC. 2002-06-04 US disclosed
WO-2000001714-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-01-13 WO disclosed