SCHEMBL11208401

SCHEMBL11208401

COC(OC)c1ccc(OC(=O)N(C)C)cc1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.68
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ACHE P22303 3/20 0.46
NCEH1 Q6PIU2 1/20 0.46
BCHE P06276 2/20 0.46
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A4 P31645 1/20 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
SCHEMBL6450091 0.82 RAB9A (1.00) RAB9AKMT2AGAAALDH1A1PKM
SCHEMBL3508351 0.81 RAB9A (0.73) RAB9AKMT2AGAAALDH1A1PKM
SCHEMBL9641028 0.79 LMNA (0.55) KMT2AGAAALDH1A1PKMTSHR
SCHEMBL9640657 0.79 KMT2A (0.46) RAB9AKMT2AALDH1A1NPSR1MEN1
SCHEMBL28280156 0.78 KMT2A (0.44) RAB9AKMT2AALDH1A1ACHEMEN1
SCHEMBL6162904 0.77 RAB9A (0.66) RAB9AKMT2AGAAALDH1A1PKM
SCHEMBL5010479 0.77 RAB9A (0.66) RAB9AKMT2AGAAALDH1A1PKM
SCHEMBL5358232 0.77 RAB9A (0.66) RAB9AKMT2AGAAALDH1A1PKM
SCHEMBL360146 0.77 RAB9A (0.79) RAB9AKMT2AGAAALDH1A1PKM
SCHEMBL9641430 0.76 ELANE (0.59) ALDH1A1LMNA

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-0011712-B1 PREPARATION OF BENZALDEHYDE DIALKYL ACETALS SUBSTITUTED IN THE 4-POSITION BASF Aktiengesellschaft (DE) 1983-06-15 EP disclosed
US-4284825-A INTERMEDIATES FOR PERFUMES, CROP PROTECTION AGENTS BASF AKTIENGESELLSCHAFT (DE) 1981-08-18 US disclosed
EP-0011712-A2 Preparation of benzaldehyde dialkyl acetals substituted in the 4-position BASF Aktiengesellschaft (DE) 1980-06-11 EP disclosed