SCHEMBL9755932

SCHEMBL9755932

CC#CCC(=O)N(NC(=O)c1ccccc1OC)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.49
CTSD P07339 1/20 0.48
HPGD P15428 2/20 0.43
TP53 P04637 2/20 0.43
GLA P06280 1/20 0.43
LMNA P02545 1/20 0.43
STAT3 P40763 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41

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
SCHEMBL9755964 0.89 CTSD (0.47) ABCB1CTSDHPGDTP53GLA
SCHEMBL9756233 0.87 CTSD (0.45) ABCB1CTSDHPGDTP53GLA
SCHEMBL9756349 0.85 CTSD (0.55) ABCB1CTSDHPGDTP53GLA
SCHEMBL9756010 0.81 CTSD (0.51) ABCB1CTSDHPGDTP53GLA
SCHEMBL9755928 0.81 ABCB1 (0.47) ABCB1CTSDLMNA
SCHEMBL9755919 0.81 HPGD (0.54) ABCB1CTSDHPGDTP53GLA
SCHEMBL9756295 0.81 CTSD (0.45) ABCB1CTSDHPGDTP53GLA
SCHEMBL9756119 0.80 POLB (0.60)
SCHEMBL9756199 0.80 CTSD (0.49) ABCB1CTSDHPGDTP53GLA
SCHEMBL9756462 0.80 CTSD (0.49) ABCB1CTSDHPGDTP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234944-B1 INSECTICIDAL N'-SUBSTITUTED-N-ACYL-N'-ALKYLCARBONYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-04-10 EP disclosed
EP-0232075-B1 INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYL HYDRAZINES ROHM AND HAAS COMPANY (US) 1991-03-13 EP disclosed
EP-0234944-A1 Insecticidal N'-substituted-N-acyl-N'-alkylcarbonylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-02 EP disclosed