SCHEMBL17146454

SCHEMBL17146454

CCC(C)(C)COc1ccc(C2(c3ccc(OC(C)(C)CC)cc3)CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.54
▸ PSMB1 P20618 1/20 0.43
▸ PSMB5 P28074 1/20 0.43
▸ PSMB2 P49721 1/20 0.43
▸ SLC6A4 P31645 4/20 0.37
▸ SLC6A3 Q01959 4/20 0.37
▸ SLC6A2 P23975 2/20 0.37
▸ ESR1 P03372 3/20 0.35
▸ ESR2 Q92731 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ BACE1 P56817 2/20 0.32
▸ GRIN1 Q05586 3/20 0.31
▸ GRIN2A Q12879 3/20 0.31
▸ GRIN2B Q13224 3/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL19431650 0.89 ADORA3 (0.65) ADORA3PSMB1PSMB5PSMB2SLC6A4
SCHEMBL20671319 0.89 ADORA3 (0.65) ADORA3PSMB1PSMB5PSMB2SLC6A4
SCHEMBL21851266 0.83 ADORA3 (0.59) ADORA3PSMB1PSMB5PSMB2SLC6A4
SCHEMBL18944160 0.83 ADORA3 (0.59) ADORA3PSMB1PSMB5PSMB2SLC6A4
SCHEMBL12205413 0.82 ADORA3 (0.61) ADORA3PSMB1PSMB5PSMB2SLC6A4
SCHEMBL20671282 0.82 ADORA3 (0.61) ADORA3PSMB1PSMB5PSMB2SLC6A4
SCHEMBL19431838 0.80 ADORA3 (0.55) ADORA3PSMB1PSMB5PSMB2SLC6A4
SCHEMBL19431649 0.78 ADORA3 (0.63) ADORA3PSMB1PSMB5PSMB2SLC6A4
SCHEMBL13380378 0.77 ADORA3 (0.62) ADORA3PSMB1PSMB5PSMB2SLC6A4
SCHEMBL14781029 0.77 ADORA3 (0.55) ADORA3PSMB1PSMB5PSMB2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2570445-B1 POLYCARBONATE COPOLYMER, METHOD FOR PRODUCING THE SAME, MOLDED BODY, OPTICAL MATERIAL, AND ELECTROPHOTOGRAPHIC PHOTOSENSITIVE BODY IDEMITSU KOSAN CO (JP) 2015-10-07 — — EP disclosed
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