SCHEMBL11788477

SCHEMBL11788477

CCCOC(=O)c1cc(N(C)C)ccc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 2/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TSHR P16473 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MCL1 Q07820 1/20 0.38

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
SCHEMBL11792053 0.89 RAB9A (0.49) ALDH1A1SMN1; SMN2LMNARAB9AMEN1
SCHEMBL9193046 0.81 NQO2 (0.41) ALDH1A1SMN1; SMN2RAB9ATSHRTDP1
SCHEMBL16173994 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNARAB9AMEN1
SCHEMBL11799304 0.77 CA12 (0.42) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL9096992 0.76 ALDH1A1 (0.71) ALDH1A1LMNATSHRTDP1L3MBTL1
SCHEMBL9200244 0.76 SLC16A3 (0.45) ALDH1A1RAB9AMEN1KMT2ATDP1
SCHEMBL6262373 0.74 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL147844 0.72 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2LMNARAB9ATSHR
SCHEMBL11669735 0.71 TSHR (0.56) ALDH1A1SMN1; SMN2LMNARAB9AMEN1
SCHEMBL11793288 0.71 LMNA (0.60) ALDH1A1SMN1; SMN2LMNARAB9AMEN1

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-3971821-A Production of aminobenzaldehydes BASF AKTIENGESELLSCHAFT (DT) 1976-07-27 — — US disclosed
Send feedback