SCHEMBL26328524

SCHEMBL26328524

CCC(Cc1c[nH]c2cc(OC)ccc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
MAPT P10636 2/20 0.54
HTR2A P28223 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HTR1A P08908 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HTR6 P50406 1/20 0.51
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
TUBB1 Q9H4B7 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL9264836 0.90 KDM4E (0.64) MTNR1AMTNR1BMAPTHTR2AMEN1
SCHEMBL21392222 0.87 HTR2A (0.60) MTNR1AMTNR1BMAPTHTR2AMEN1
SCHEMBL28413745 0.85 SMN1; SMN2 (0.60) MTNR1AMTNR1BMAPTHTR2AMEN1
SCHEMBL24328257 0.85 MEN1 (0.58) MTNR1AMTNR1BMAPTHTR2AMEN1
SCHEMBL24328915 0.85 SMN1; SMN2 (0.60) MTNR1AMTNR1BMAPTHTR2AMEN1
SCHEMBL1460676 0.84 KMT2A (0.61) MTNR1AMTNR1BMAPTHTR2AMEN1
SCHEMBL18029114 0.84 KMT2A (0.61) MTNR1AMTNR1BMAPTHTR2AMEN1
SCHEMBL1460679 0.84 KMT2A (0.61) MTNR1AMTNR1BMAPTHTR2AMEN1
SCHEMBL31370348 0.84 KMT2A (0.61) MTNR1AMTNR1BMAPTHTR2AMEN1
SCHEMBL8261028 0.81 MTNR1A (0.56) MTNR1AMTNR1BMAPTHTR2AMEN1

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 2 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