SCHEMBL29163107

SCHEMBL29163107

COC(=O)c1cccc(C2CCC(N)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KMO O15229 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP4F2 P78329 1/20 0.41
▸ CYP4A11 Q02928 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SLC6A3 Q01959 2/20 0.40
▸ SMYD3 Q9H7B4 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 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
SCHEMBL3933287 0.87 KMO (0.54) LOXL2ALDH1A1HPGDKMOKDM4E
SCHEMBL28215576 0.81 KMO (0.36) KMOTSHRSMYD3
SCHEMBL25883849 0.81 LOXL2 (0.43) LOXL2ALDH1A1HPGDKMOKDM4E
SCHEMBL26154174 0.81 KMO (0.59) LOXL2ALDH1A1HPGDKMOKDM4E
SCHEMBL8414748 0.81 KMO (0.64) LOXL2ALDH1A1HPGDKMOKDM4E
SCHEMBL28037642 0.80 NPC1 (0.40) KMOKDM1ASMYD3CA12CA1
SCHEMBL1787841 0.80 KMO (0.67) LOXL2ALDH1A1HPGDKMOKDM4E
SCHEMBL24586212 0.80 LOXL2 (0.46) LOXL2ALDH1A1HPGDKMOKDM4E
SCHEMBL14562482 0.80 GAA (0.47) LOXL2ALDH1A1HPGDKMOKDM4E
SCHEMBL17710246 0.79 PARP1 (0.45) LOXL2ALDH1A1HPGDKDM4EKMT2A

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
CN-111655680-B Hormone receptor modulators for the treatment of metabolic mutations and fibrotic conditions and disorders 阿德利克斯股份有限公司 2024-03-05 — — CN disclosed
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