SCHEMBL8310780

SCHEMBL8310780

OC[C@H]1O[C@@H]1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.42
▸ SLC5A2 P31639 4/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ GBA1 P04062 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ CTRB1 P17538 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL5195874 1.00 TSHR (0.42) TSHRSLC5A2TLR9GBA1TDP1
SCHEMBL1493181 1.00 TSHR (0.42) TSHRSLC5A2TLR9GBA1TDP1
SCHEMBL5195871 1.00 TSHR (0.42) TSHRSLC5A2TLR9GBA1TDP1
SCHEMBL31231840 0.89 TLR9 (0.47) TSHRTLR9GBA1SLC6A2SLC6A4
SCHEMBL12459457 0.86 SLC5A2 (0.53) SLC5A2
SCHEMBL12582923 0.86 SLC5A2 (0.53) SLC5A2
SCHEMBL7147747 0.86 SLC5A2 (0.53) SLC5A2
SCHEMBL13446904 0.84 SLC5A2 (0.55) SLC5A2
SCHEMBL7173273 0.83 TLR9 (0.42) TSHRSLC5A2TLR9GBA1TDP1
SCHEMBL12582958 0.80 SLC5A2 (0.44) SLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901480-A4 PROCESS FOR PREPARING OXIRANEMETHANAMINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA (US) 1999-11-24 — — EP disclosed
EP-0901480-A1 PROCESS FOR PREPARING OXIRANEMETHANAMINE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1999-03-17 — — EP disclosed
US-5847169-A Process for preparing oxiranemethanamine derivatives BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1998-12-08 — — US disclosed
WO-1997042180-A1 PROCESS FOR PREPARING OXIRANEMETHANAMINE DERIVATIVES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1997-11-13 — — WO disclosed
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