SCHEMBL11701351

SCHEMBL11701351

CC(C)COC(=O)c1ccc(C(=O)NNC(=O)c2ccc(C(=O)OCC(C)C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 2/20 0.53
ADRB2 P07550 8/20 0.53
ADRB1 P08588 8/20 0.53
ADRB3 P13945 8/20 0.53
PLA2G1B P04054 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
MAPT P10636 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL11765818 0.95 MAPT (0.54) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL11699178 0.94 CA1 (0.57) TSHRADRB2ADRB1ADRB3PLA2G1B
SCHEMBL11702063 0.92 CA12 (0.56) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL11702741 0.91 ALDH1A1 (0.59) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL110051 0.89 ALDH1A1 (0.64) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL27668055 0.87 ALDH1A1 (0.62) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL27667934 0.87 ALDH1A1 (0.62) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL27668352 0.87 ALDH1A1 (0.62) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL5166149 0.85 TSHR (0.56) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL34633 0.85 ADRB2 (0.64) ALDH1A1TSHRADRB2ADRB1ADRB3

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
US-4043976-A N,N'-DIBENZOYLHYDRAZINE DERIVATIVE UBE INDUSTRIES, LTD. (JA) 1977-08-23 US disclosed