SCHEMBL18509316

SCHEMBL18509316

CSc1ccc2c(c1)c(CCC(=O)O)cn2C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
NQO2 P16083 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
TP53 P04637 2/20 0.42
SPR P35270 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CMA1 P23946 1/20 0.41
PLA2G4A P47712 3/20 0.40
ADRB2 P07550 1/20 0.40
HTR1D P28221 1/20 0.40
HTR6 P50406 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL23226315 0.90 KMT2A (0.42) KMT2AMEN1PPARGPPARDPPARA
SCHEMBL21614280 0.83 HTR1D (0.43) KMT2AMEN1NQO2MTNR1AMTNR1B
SCHEMBL20119843 0.82 SPR (0.60) KMT2AMEN1NQO2MTNR1AMTNR1B
SCHEMBL18509793 0.82 TP53 (0.53) KMT2AMEN1NQO2MTNR1AMTNR1B
SCHEMBL18509874 0.81 HPGD (0.51) KMT2AMEN1NQO2MTNR1AMTNR1B
SCHEMBL18509434 0.81 KMT2A (0.54) KMT2AMEN1NQO2MTNR1AMTNR1B
SCHEMBL18509694 0.81 LMNA (0.49) KMT2AMEN1NQO2MTNR1AMTNR1B
SCHEMBL18509701 0.78 MTNR1A (0.67) KMT2AMEN1NQO2MTNR1AMTNR1B
SCHEMBL18509430 0.78 NR4A2 (0.55) KMT2AMEN1TP53KDM4EHPGD
SCHEMBL18029285 0.78 MAPT (0.46) KMT2AMEN1NQO2MTNR1AMTNR1B

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-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
WO-2019183358-A2 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-09-26 WO disclosed
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 WO disclosed