SCHEMBL23226327

SCHEMBL23226327

C=Cc1ccc2c(c(CC(C)C(=O)O)c(C)n2C)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ NQO2 P16083 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ MAPT P10636 3/20 0.32
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL18000410 0.88 ALDH1A1 (0.39) ALDH1A1NQO2MTNR1AMTNR1BMAPT
SCHEMBL19871278 0.88 ALDH1A1 (0.39) ALDH1A1NQO2MTNR1AMTNR1BMAPT
SCHEMBL23226296 0.80 ALDH1A1 (0.39) ALDH1A1NQO2MTNR1AMTNR1BMAPT
SCHEMBL20934965 0.78 ALDH1A1 (0.37) ALDH1A1NQO2MTNR1AMTNR1BMAPT
SCHEMBL20935037 0.77 MAPT (0.40) ALDH1A1MAPTLMNAPOLB
SCHEMBL18000274 0.73 ALDH1A1 (0.42) ALDH1A1NQO2MTNR1AMTNR1BMAPT
SCHEMBL18029289 0.73 ALDH1A1 (0.42) ALDH1A1NQO2MTNR1AMTNR1BMAPT
SCHEMBL18029173 0.73 ALDH1A1 (0.41) ALDH1A1NQO2MTNR1AMTNR1BMAPT
SCHEMBL19871275 0.73 ALDH1A1 (0.41) ALDH1A1NQO2MTNR1AMTNR1BMAPT
SCHEMBL18000375 0.73 ALDH1A1 (0.41) ALDH1A1NQO2MTNR1AMTNR1BMAPT

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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