SCHEMBL31036664

SCHEMBL31036664

COc1cccc2c1OC(CC(=O)c1ccccc1[N+](=O)[O-])O2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
AR P10275 1/20 0.43
HTT P42858 2/20 0.42
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 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
SCHEMBL12877516 0.75 NPSR1 (0.41) ALDH1A1TDP1HTTKMT2AMAPT
SCHEMBL31036739 0.73 TSHR (0.44) ALDH1A1HTTKMT2AMAPTRAB9A
SCHEMBL31036718 0.72 LMNA (0.48) ALDH1A1TDP1HTTKMT2AL3MBTL1
SCHEMBL10989602 0.70 CTSD (0.53) ALDH1A1HTTMAPTRAB9AGAA
SCHEMBL10540843 0.67 CTSD (0.57) ALDH1A1HTTMAPTNPSR1GAA
SCHEMBL12862940 0.67 GPR35 (0.43) ALDH1A1TDP1KMT2ARAB9AMEN1
SCHEMBL9582566 0.67 HTT (0.59) ALDH1A1TDP1HTTKMT2AL3MBTL1
SCHEMBL3208528 0.67 HPGD (0.66) ALDH1A1TDP1HTTKMT2AMEN1
SCHEMBL6454393 0.67 ALDH1A1 (0.73) ALDH1A1TDP1HTTKMT2ARAB9A
SCHEMBL3167978 0.66 CTSD (0.59) ALDH1A1TDP1KMT2AL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024214103-A1 A DENTAL COMPOSITE AND METHOD OF PHOTO-INDUCED POLYMERISATION USING NOVEL CO-INITIATOR SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) 2024-10-17 WO claimed
WO-2024214103-A1 A DENTAL COMPOSITE AND METHOD OF PHOTO-INDUCED POLYMERISATION USING NOVEL CO-INITIATOR SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) 2024-10-17 WO disclosed
WO-2024189634-A1 HIGHLY ATOM ECONOMICAL PROCESS FOR SYNTHESIS OF NOVEL CO-INITIATOR FOR PHOTO-INDUCED RADICAL POLYMERISATION SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) 2024-09-19 WO disclosed