SCHEMBL8687237

SCHEMBL8687237

COC(=O)c1ccc2c(CCC=O)nn(Cc3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 3/20 0.44
▸ SLC16A3 O15427 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ F2RL3 Q96RI0 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ APOBEC3A P31941 1/20 0.41

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
SCHEMBL8682285 0.82 SLC22A12 (0.44) SLC22A12SLC16A3MEN1KMT2AGAA
SCHEMBL1553851 0.81 SLC22A12 (0.58) SLC22A12MEN1KMT2AGAARAB9A
SCHEMBL7656202 0.81 KDM4E (0.38) KMT2AGAARAB9AALDH1A1HPGD
SCHEMBL8683774 0.79 SLC16A3 (0.41) SLC22A12SLC16A3MEN1KMT2AGAA
SCHEMBL24725790 0.78 CNR1 (0.52) SLC16A3RAB9ACNR2F2RL3HDAC3
SCHEMBL14977876 0.76 F2RL3 (0.48) SLC16A3MEN1KMT2AGAARAB9A
SCHEMBL16127813 0.74 GAA (0.52) SLC22A12MEN1KMT2AGAARAB9A
SCHEMBL17608582 0.72 F2RL3 (0.45) SLC16A3MEN1KMT2AGAARAB9A
SCHEMBL1553752 0.72 GAA (0.52) MEN1KMT2AGAARAB9AF2RL3
SCHEMBL30614183 0.71 RECQL (0.54) MEN1KMT2AGAARAB9AMAPK10

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-5760028-A TREATING CANCER METASTASIS, DIABETIC RETINOPATHY, NEOVASCULAR GLAUCOMA, THROMBOSIS, RESTENOSIS, OSTEOPOROSIS, MACULAR DEGENERATION THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-06-02 — — US disclosed
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