SCHEMBL23226316

SCHEMBL23226316

CSc1ccc2c(CC(CCN)C(=O)O)cn(C)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CMA1 P23946 2/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ MAP2K2 P36507 1/20 0.34
▸ MAP2K1 Q02750 1/20 0.34
▸ CPB2 Q96IY4 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ CPB1 P15086 1/20 0.34
▸ AKR1C3 P42330 3/20 0.33
▸ AKR1C2 P52895 3/20 0.33
▸ GRIK1 P39086 1/20 0.33
▸ GRIK2 Q13002 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CA2 P00918 1/20 0.31
▸ ADRB2 P07550 1/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ HRH3 Q9Y5N1 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
SCHEMBL23226322 0.92 ADRB2 (0.38) CMA1HTR2AMAP2K2MAP2K1CPB2
SCHEMBL23226311 0.86 HTR2A (0.39) CMA1HTR2ACPB2ALDH1A1MAPT
SCHEMBL20935247 0.86 CDK2 (0.41) CMA1HTR2ACPB2ALDH1A1MAPT
SCHEMBL18029076 0.83 MAPT (0.50) CMA1HTR2AALDH1A1MAPTRECQL
SCHEMBL19872633 0.81 TPSAB1 (0.36) CMA1HTR2ACPB2
SCHEMBL23226349 0.79 ADRB2 (0.42) CMA1HTR2ACPB2CPB1MEN1
SCHEMBL20935261 0.79 CDK2 (0.41) HTR2ACPB2ALDH1A1MAPTCPB1
SCHEMBL23226268 0.75 MMP2 (0.42) HTR2ACPB2ALDH1A1MAPTRECQL
SCHEMBL18029285 0.75 MAPT (0.46) CMA1HTR2AALDH1A1MAPTRECQL
SCHEMBL23226265 0.74 TPSAB1 (0.38) CMA1CPB2CDK2ADRB2HTR1D

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
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 — — US disclosed
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 — — US disclosed
US-11591627-B2 Modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-02-28 — — US disclosed
US-20210108237-A1 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-04-15 — — US disclosed
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