SCHEMBL11322183

SCHEMBL11322183

CCC(N)c1ccccc1N(CC)Cc1cccc(C(=O)OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 2/20 0.52
▸ SLC7A5 Q01650 1/20 0.48
▸ LOXL2 Q9Y4K0 1/20 0.48
▸ CETP P11597 1/20 0.47
▸ CYP4F2 P78329 2/20 0.44
▸ CYP4A11 Q02928 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SENP1 Q9P0U3 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ MEP1B Q16820 1/20 0.39
▸ CASR P41180 1/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ LNPEP Q9UIQ6 2/20 0.39
▸ ERAP2 Q6P179 1/20 0.39
▸ MRGPRX4 Q96LA9 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
SCHEMBL11323831 0.87 NR3C1 (0.42) NR3C1
SCHEMBL11306094 0.78 TSHR (0.54) NR3C1KDM4EALDH1A1MAPT
SCHEMBL10106423 0.74 LOXL2 (0.64) NR3C1SLC7A5LOXL2CYP4F2CYP4A11
SCHEMBL11319163 0.74 CNR2 (0.44) NR3C1ALDH1A1MAPT
SCHEMBL18300965 0.71 S1PR1 (0.65) NR3C1LOXL2CETPCYP4F2CYP4A11
SCHEMBL28870464 0.71 SLC7A5 (0.70) SLC7A5LOXL2CYP4F2CYP4A11KDM4E
SCHEMBL21377435 0.71 PTPN1 (0.64) NR3C1SLC7A5LOXL2CETPCYP4F2
SCHEMBL13010955 0.70 NR3C1 (0.53) NR3C1SLC7A5LOXL2CETPCYP4F2
SCHEMBL16706893 0.70 LOXL2 (0.62) NR3C1SLC7A5LOXL2CYP4F2CYP4A11
SCHEMBL6934024 0.70 LOXL2 (0.54) SLC7A5LOXL2CYP4F2CYP4A11ALDH1A1

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-4268439-A Basic azo dyestuffs having benzylammoniumamine substituent in the coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 — — US disclosed
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