SCHEMBL21476997

SCHEMBL21476997

NC(=O)CNC(=O)CNC(=O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.61
▸ ALB P02768 2/20 0.60
▸ SLC5A2 P31639 2/20 0.57
▸ USP2 O75604 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ESR1 P03372 1/20 0.53
▸ CA9 Q16790 2/20 0.52
▸ HTRA2 O43464 4/20 0.51
▸ HTRA1 Q92743 4/20 0.51
▸ AVPR2 P30518 1/20 0.50
▸ OXTR P30559 1/20 0.50
▸ AVPR1A P37288 1/20 0.50
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49

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
SCHEMBL22384710 0.93 FOLH1 (0.63) FOLH1ALBSLC5A2USP2L3MBTL1
SCHEMBL14932598 0.88 HTRA2 (0.62) FOLH1ALBSLC5A2USP2L3MBTL1
SCHEMBL16295184 0.88 FOLH1 (0.68) FOLH1ALBSLC5A2USP2L3MBTL1
SCHEMBL3289756 0.87 FOLH1 (0.62) FOLH1ALBSLC5A2USP2L3MBTL1
SCHEMBL20997950 0.87 USP2 (0.60) FOLH1ALBSLC5A2USP2L3MBTL1
SCHEMBL15130552 0.87 USP2 (0.62) FOLH1ALBSLC5A2USP2L3MBTL1
SCHEMBL12741017 0.87 FOLH1 (0.61) FOLH1ALBSLC5A2USP2L3MBTL1
SCHEMBL14820144 0.85 FOLH1 (0.59) FOLH1ALBSLC5A2USP2L3MBTL1
SCHEMBL15501046 0.84 FOLH1 (0.59) FOLH1ALBSLC5A2USP2L3MBTL1
SCHEMBL13287065 0.84 USP2 (0.60) FOLH1ALBSLC5A2USP2L3MBTL1

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
EP-2701699-B1 INHIBITORS OF HISTONE DEACETYLASE BROAD INST INC (US) 2019-10-16 — — EP disclosed
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