SCHEMBL8923640

SCHEMBL8923640

CCC(CC(=O)c1ccc2c(c1)SNC(=O)C2)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.35
▸ KMO O15229 1/20 0.34
▸ STING1 Q86WV6 4/20 0.34
▸ TDP2 O95551 2/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31

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
SCHEMBL27528567 0.82 ATM (0.40) TSHRTDP2HDAC6MEN1KMT2A
SCHEMBL9449446 0.77 PTPN1 (0.40) TDP2EPHX2
SCHEMBL27362455 0.76 TDP2 (0.34) TDP2
SCHEMBL9449454 0.76 MAPT (0.49) TDP2MEN1NPC1KMT2A
SCHEMBL8923643 0.75 HTT (0.49) MEN1NPC1KMT2AEPHX2
SCHEMBL27357288 0.70 TDP2 (0.30) TDP2
SCHEMBL27532024 0.69 PKM (0.43) TSHRKMT2AEPHX2
SCHEMBL3693703 0.66 TSHR (0.78) TSHRMEN1NPC1KMT2A
SCHEMBL4686902 0.65 TSHR (0.55) TSHRMEN1NPC1KMT2A
SCHEMBL8922539 0.64 TSHR (0.42) TSHRKMOSTING1MEN1NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684151-A PROGESTIN AGONISTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-11-04 — — US disclosed
EP-0650480-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1995-05-03 — — EP disclosed
WO-1994001412-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1994-01-20 — — WO disclosed
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