SCHEMBL11224784

SCHEMBL11224784

CC(=O)c1cc(Br)ccc1OCC1CO1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.59
ALDH1A1 P00352 4/20 0.44
GLA P06280 1/20 0.44
VDR P11473 1/20 0.41
LRRK2 Q5S007 2/20 0.40
MAOA P21397 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL17511460 0.89 DRD4 (0.46) PTGDR2ALDH1A1GLAVDRMAOA
SCHEMBL17511458 0.89 DRD4 (0.46) PTGDR2ALDH1A1GLAVDRMAOA
SCHEMBL11217801 0.84 ABCB1 (0.49) ALDH1A1GLAVDRSMN1; SMN2MAPT
SCHEMBL568467 0.83 ALDH1A1 (0.49) PTGDR2ALDH1A1GLAVDRSMN1; SMN2
SCHEMBL567908 0.83 ALDH1A1 (0.49) PTGDR2ALDH1A1GLAVDRSMN1; SMN2
SCHEMBL17511464 0.82 CFD (0.43) PTGDR2ALDH1A1GLAVDRSMN1; SMN2
SCHEMBL17511466 0.82 CFD (0.43) PTGDR2ALDH1A1GLAVDRSMN1; SMN2
SCHEMBL20612384 0.82 CFD (0.43) PTGDR2ALDH1A1GLAVDRSMN1; SMN2
SCHEMBL1043148 0.82 PKM (0.49) ALDH1A1GLASMN1; SMN2TP53CYP3A4
SCHEMBL7281360 0.80 ALDH1A1 (0.61) ALDH1A1GLASMN1; SMN2TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
EP-3421465-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2022-10-26 EP disclosed
EP-3421464-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2021-11-24 EP disclosed
EP-3647311-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-05-06 EP disclosed
WO-2019001572-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF 北京泰德制药股份有限公司 2019-01-03 WO disclosed
EP-3421464-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2019-01-02 EP disclosed
EP-3421465-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AS WELL AS PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2019-01-02 EP disclosed
EP-0005610-B1 1-(HETEROCYCLYLALKYL)-1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONES, THEIR PREPARATION, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USE AS BETA-ADRENERGIC RECEPTOR BLOCKERS JANSSEN PHARMACEUTICA N.V. (BE) 1982-12-15 EP disclosed
US-4181802-A ADRENERGIC BLOCKING AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-01 US disclosed
EP-0005610-A2 1-(Heterocyclylalkyl)-1,3-dihydro-2H-benzimidazol-2-ones, their preparation, their pharmaceutical compositions and their use as beta-adrenergic receptor blockers JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-28 EP disclosed