SCHEMBL11554666

SCHEMBL11554666

CCOc1ccc(Sc2ccccc2C(Cl)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.49
▸ MMP9 P14780 2/20 0.49
▸ MMP12 P39900 2/20 0.49
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ RXFP1 Q9HBX9 5/20 0.41
▸ TP53 P04637 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 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
SCHEMBL11430852 0.86 MMP2 (0.60) MMP2MMP9MMP12ALDH1A1HTT
SCHEMBL29143247 0.83 SIRT1 (0.47) MMP2MMP9MMP12MAPTALDH1A1
SCHEMBL11427398 0.79 ALDH1A1 (0.46) MMP2MMP9MMP12MAPTALDH1A1
Oxirane SCHEMBL11442758 0.76 SIRT1 (0.41) MMP2MMP9MMP12MAPTALDH1A1
SCHEMBL11552435 0.76 SLC6A2 (0.44) MMP2MMP9MMP12MAPTALDH1A1
SCHEMBL11554657 0.74 AKR1B1 (0.49) MMP2MMP9MMP12ALDH1A1HTT
SCHEMBL11400372 0.74 MMP2 (0.38) MMP2MMP9MMP12ALDH1A1MEN1
SCHEMBL16200806 0.73 LTA4H (0.61) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL11541636 0.73 BACE1 (0.44) MMP2MMP9MMP12SMN1; SMN2PKM
SCHEMBL14712812 0.72 LTA4H (0.47) MMP2MMP9MMP12MAPTALDH1A1

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-4166127-A ANTIINFLAMMATORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1979-08-28 — — US disclosed
US-4101667-A ANTIINFLAMMATORY AGENTS NIPPON CHEMIPHAR CO., LTD. (JP) 1978-07-18 — — US disclosed
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