SCHEMBL5808134

SCHEMBL5808134

O=C(C[S])c1ccc2c(c1)OCCO2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.70
▸ TSHR P16473 2/20 0.66
▸ HPGD P15428 1/20 0.66
▸ PKM P14618 1/20 0.66
▸ CTNNB1 P35222 10/20 0.64
▸ WNT3A P56704 6/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ RAB9A P51151 2/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ ALDH1A1 P00352 2/20 0.58
▸ HDAC3 O15379 1/20 0.57
▸ HDAC4 P56524 1/20 0.57
▸ HDAC1 Q13547 1/20 0.57
▸ HDAC7 Q8WUI4 1/20 0.57
▸ HDAC2 Q92769 1/20 0.57
▸ HDAC10 Q969S8 1/20 0.57
▸ HDAC11 Q96DB2 1/20 0.57
▸ HDAC8 Q9BY41 1/20 0.57
▸ HDAC6 Q9UBN7 1/20 0.57

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
SCHEMBL4258312 0.89 CTNNB1 (0.64) ATMHPGDCTNNB1WNT3AKDM4E
SCHEMBL653025 0.85 PKM (0.87) ATMTSHRHPGDPKMCTNNB1
SCHEMBL4831672 0.84 ATM (0.72) ATMTSHRHPGDPKMCTNNB1
SCHEMBL1535157 0.84 ATM (0.72) ATMTSHRHPGDPKMCTNNB1
SCHEMBL7791783 0.82 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL13785039 0.82 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL13715357 0.82 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL627847 0.82 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL5370469 0.82 ATM (0.70) ATMTSHRHPGDPKMCTNNB1
SCHEMBL2840339 0.82 ATM (0.70) ATMTSHRHPGDPKMCTNNB1

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
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 — — WO disclosed
Send feedback