SCHEMBL11064477

SCHEMBL11064477

Cc1cc2c(cc1N1CCCCC1)OC(=O)C2C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A3 P47895 2/20 0.39
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 4/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
NR4A1 P22736 1/20 0.36
PTK2B Q14289 1/20 0.36
MCOLN3 Q8TDD5 2/20 0.33
BRD4 O60885 1/20 0.33
BRD1 O95696 1/20 0.33
TAF1 P21675 1/20 0.33
BRPF1 P55201 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
TNNI3 P19429 1/20 0.32

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
SCHEMBL11059398 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ALDH1A3HSD17B1HSD17B2
SCHEMBL11058233 0.99 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2ALDH1A3HSD17B1HSD17B2
SCHEMBL11064662 0.87 PDE3B (0.40) ALDH1A1SMN1; SMN2HSD17B1HSD17B2MAPT
SCHEMBL11059736 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2ALDH1A3HSD17B1HSD17B2
SCHEMBL11065581 0.84 MEN1 (0.32) ALDH1A1MEN1KMT2AMAPT
SCHEMBL11062183 0.84 MEN1 (0.32) ALDH1A1MEN1KMT2AMAPT
SCHEMBL11062182 0.84 MEN1 (0.32) ALDH1A1MEN1KMT2AMAPT
SCHEMBL11059053 0.84 GAA (0.30) GAA
SCHEMBL11065574 0.84 MEN1 (0.32) ALDH1A1MEN1KMT2AMAPT
SCHEMBL11059000 0.83 IP6K1 (0.37) ALDH1A1HSD17B1HSD17B2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4451462-A Method of treating inflammation and pain using heteramino benzofurans CIBA-GEIGY CORPORATION (US) 1984-05-29 US claimed
US-4426380-A ANTIINFLAMMATORY, ANALGESIC, SUNSCREEN CIBA-GEIGY CORPORATION (US) 1984-01-17 US claimed
EP-0078241-A2 Furanes CIBA-GEIGY AG (CH) 1983-05-04 EP claimed
US-4451462-A Method of treating inflammation and pain using heteramino benzofurans CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
US-4426380-A ANTIINFLAMMATORY, ANALGESIC, SUNSCREEN CIBA-GEIGY CORPORATION (US) 1984-01-17 US disclosed
EP-0078241-A2 Furanes CIBA-GEIGY AG (CH) 1983-05-04 EP disclosed