SCHEMBL11672199

SCHEMBL11672199

COc1ccc(OC(=O)OC(C)N(C)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ SLC6A2 P23975 3/20 0.45
▸ SLC6A4 P31645 3/20 0.45
▸ TRPM8 Q7Z2W7 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL11671253 0.91 L3MBTL1 (0.46) KDM4EKMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL11671956 0.89 CYP1A2 (0.45) KMT2ASMN1; SMN2ALDH1A1GAAMEN1
SCHEMBL11671285 0.89 ALDH1A1 (0.44) TRPM8KMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL11671908 0.88 MTNR1A (0.50) SLC6A2SLC6A4ALDH1A1MTNR1AMTNR1B
SCHEMBL11672424 0.87 LMNA (0.51) SLC6A2SLC6A4KMT2ASMN1; SMN2MEN1
SCHEMBL11671262 0.87 KMT2A (0.48) KDM4EKMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL11671270 0.85 RAB9A (0.47) KDM4EKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL11669970 0.85 ACACB (0.43) KMT2ASMN1; SMN2ALDH1A1MEN1RAB9A
SCHEMBL11670560 0.85 RAB9A (0.59) KMT2ASMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL11674820 0.83 KMT2A (0.53) KDM4EHPGDSLC6A2SLC6A4TRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4039526-A PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
US-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 — — US disclosed
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