SCHEMBL11792053

SCHEMBL11792053

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ TSHR P16473 2/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ ERN1 O75460 1/20 0.43
▸ ALDH1A1 P00352 7/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42

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
SCHEMBL11788477 0.89 ALDH1A1 (0.47) RAB9AKMT2AMEN1TSHRALDH1A1
SCHEMBL9193046 0.83 NQO2 (0.41) RAB9ATSHRERN1ALDH1A1MAPT
SCHEMBL11669735 0.83 TSHR (0.56) RAB9AKMT2AMEN1TSHRSIRT2
SCHEMBL11799304 0.79 CA12 (0.42) RAB9AKMT2AMEN1TSHRALDH1A1
SCHEMBL11669017 0.79 TSHR (0.51) RAB9AKMT2AMEN1TSHRSIRT2
SCHEMBL9200244 0.78 SLC16A3 (0.45) RAB9AKMT2AMEN1ALDH1A1MAPT
SCHEMBL10083804 0.78 ALDH1A1 (0.60) RAB9AKMT2AMEN1TSHRERN1
SCHEMBL4164469 0.76 RAB9A (0.51) RAB9AKMT2AMEN1TSHRSIRT2
SCHEMBL4440051 0.76 ALDH1A1 (0.57) RAB9AKMT2AMEN1TSHRALDH1A1
SCHEMBL10514738 0.75 RAB9A (0.48) RAB9AKMT2AMEN1TSHRSIRT2

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
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