SCHEMBL11670235

SCHEMBL11670235

CC(OC(=O)Oc1ccccc1)N(C)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ GHSR Q92847 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ OGG1 O15527 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PGR P06401 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL11671657 0.92 KDM4E (0.43) SLC6A2SLC6A4GHSRKDM4EOGG1
SCHEMBL11671253 0.86 L3MBTL1 (0.46) KDM4EL3MBTL1LMNAKMT2AATM
SCHEMBL11671908 0.86 MTNR1A (0.50) SLC6A2SLC6A4LMNABCHEACHE
SCHEMBL11670934 0.86 HSD17B1 (0.42) SLC6A2SLC6A4L3MBTL1LMNAKMT2A
SCHEMBL11672424 0.85 LMNA (0.51) SLC6A2SLC6A4L3MBTL1LMNAKMT2A
SCHEMBL11671280 0.84 S1PR1 (0.42) GHSRKDM4EALDH1A1MAPT
SCHEMBL11671153 0.84 ALDH1A1 (0.46) KDM4EL3MBTL1LMNABCHEACHE
SCHEMBL11687205 0.82 SLC6A2 (0.46) SLC6A2SLC6A4HTR3EHTR3BHTR3A
SCHEMBL27776680 0.81 HTR3E (0.43) SLC6A2SLC6A4GHSRKDM4EL3MBTL1
SCHEMBL11671820 0.81 LMNA (0.48) LMNAKMT2ATDP1BCHEACHE

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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