SCHEMBL9845979

SCHEMBL9845979

Cc1cc2n(c1C=O)CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A3 P47895 2/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
TUBB4A P04350 2/20 0.30
TUBB P07437 2/20 0.30
TUBA3C P0DPH7 2/20 0.30
TUBA1B P68363 2/20 0.30
TUBA4A P68366 2/20 0.30
TUBB4B P68371 2/20 0.30
TUBB3 Q13509 2/20 0.30
TUBB2A Q13885 2/20 0.30
TUBB8 Q3ZCM7 2/20 0.30
TUBA3E Q6PEY2 2/20 0.30

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
SCHEMBL14396592 0.68 POLB (0.35) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL22970084 0.68 ALDH1A1 (0.31) ALDH1A1HPGDHSD17B10USP2
SCHEMBL3145831 0.67 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10USP2SMN1; SMN2
SCHEMBL18776650 0.64 HTR6 (0.32)
SCHEMBL18778770 0.64 LMNA (0.31) MAPT
SCHEMBL18065860 0.63 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10USP2SMN1; SMN2
SCHEMBL10239310 0.63 POLB (0.32) HPGD
SCHEMBL8822138 0.63 ACHE (0.50) ALDH1A1HPGDSMN1; SMN2GAAMEN1
SCHEMBL9235345 0.62 SMN1; SMN2 (0.35) ALDH1A1HPGDHSD17B10USP2SMN1; SMN2
SCHEMBL18152630 0.62 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10USP2SMN1; SMN2

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-0413368-A1 Bread aroma, production thereof, and use of the same for the aromatisation of foodstuffs and delicacies FÜRSTLICHE BRAUEREI THURN UND TAXIS REGENSBURG GMBH (DE) 1991-02-20 EP disclosed