SCHEMBL31335283

SCHEMBL31335283

COC(=O)C1C(c2ccc(Br)cc2)CCC(C)C1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 9/20 0.52
▸ SLC6A4 P31645 6/20 0.52
▸ SLC6A2 P23975 4/20 0.51
▸ POLB P06746 1/20 0.42
▸ PPM1B O75688 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PPP1CC P36873 1/20 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
SCHEMBL31335311 1.00 SLC6A3 (0.52) SLC6A3SLC6A4SLC6A2POLBPPM1B
SCHEMBL31335247 0.93 SLC6A3 (0.55) SLC6A3SLC6A4SLC6A2
Bicarbonate SCHEMBL11480278 0.76 CYP3A4 (0.45) SLC6A3SLC6A4SLC6A2
SCHEMBL28287653 0.75 PPM1B (0.60) POLBPPM1BPTPN1PPP1CC
SCHEMBL32661935 0.74 ALDH1A1 (0.39) SLC6A3SLC6A4SLC6A2POLB
SCHEMBL16278194 0.73 SLC6A4 (0.55) SLC6A3SLC6A4SLC6A2
SCHEMBL4718112 0.73 SLC6A4 (0.55) SLC6A3SLC6A4SLC6A2
SCHEMBL15091796 0.73 SLC6A4 (0.55) SLC6A3SLC6A4SLC6A2
SCHEMBL11486135 0.73 KDM1A (0.44) SLC6A3SLC6A4SLC6A2
SCHEMBL4718115 0.73 SLC6A4 (0.55) SLC6A3SLC6A4SLC6A2

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
EP-4719605-A1 CHEMICAL COMPOUNDS AND USES THEREOF GlaxoSmithKline Intellectual Property (No.4) Limited (GB) 2026-04-08 — — EP disclosed
WO-2024246862-A1 CHEMICAL COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 4) LIMITED (GB) 2024-12-05 — — WO disclosed
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