SCHEMBL30361998

SCHEMBL30361998

COC(=O)c1cc(Br)ccc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ MAPT P10636 3/20 0.59
▸ HSD17B10 Q99714 2/20 0.59
▸ CYP1A2 P05177 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ GFER P55789 1/20 0.59
▸ POLB P06746 3/20 0.56
▸ STAT3 P40763 1/20 0.55
▸ KDM4E B2RXH2 3/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ NR4A2 P43354 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ GAA P10253 1/20 0.50

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
SCHEMBL392403 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPTHSD17B10CYP1A2
SCHEMBL1603859 0.86 HSD17B10 (0.58) ALDH1A1SMN1; SMN2MAPTHSD17B10CYP1A2
SCHEMBL257244 0.85 NR4A2 (0.51) ALDH1A1SMN1; SMN2MAPTHSD17B10CYP1A2
SCHEMBL29827082 0.85 NR4A2 (0.51) ALDH1A1SMN1; SMN2MAPTHSD17B10CYP1A2
SCHEMBL1221627 0.85 POLB (0.63) ALDH1A1SMN1; SMN2MAPTHSD17B10CYP1A2
SCHEMBL30362007 0.85 POLB (0.63) ALDH1A1SMN1; SMN2MAPTHSD17B10CYP1A2
SCHEMBL2890368 0.84 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTHSD17B10CYP1A2
Hydrochloric Acid SCHEMBL27134662 0.83 POLB (0.61) ALDH1A1SMN1; SMN2MAPTHSD17B10CYP1A2
SCHEMBL1821903 0.83 PTGDR2 (0.63) ALDH1A1SMN1; SMN2MAPTHSD17B10CYP1A2
SCHEMBL2723239 0.83 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTHSD17B10POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4514802-A1 IMIDAZOLE DERIVATIVES AS ALK5 INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-03-05 — — EP disclosed
EP-4448500-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 — — EP disclosed
EP-4422746-A1 RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-09-04 — — EP disclosed
EP-4423058-A1 RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-09-04 — — EP disclosed
WO-2023208986-A1 IMIDAZOLE DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-11-02 — — WO disclosed
WO-2023114822-A1 BENZOTHIAZOLE, BENZOISOXAZOLE AND BENZODIOXOLE ANALOGS AS RXFP1 RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 — — WO disclosed
WO-2023076626-A1 RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-04 — — WO disclosed
WO-2023077040-A1 RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-04 — — WO disclosed
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