SCHEMBL30523116

SCHEMBL30523116

NCOc1cccc(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 9/20 0.65
KMT2A Q03164 1/20 0.65
AKR1C3 P42330 1/20 0.59
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.55
NR4A1 P22736 2/20 0.54
NR4A3 Q92570 2/20 0.54
MRGPRX4 Q96LA9 3/20 0.53
SRD5A2 P31213 1/20 0.53
GPBAR1 Q8TDU6 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
NR1H4 Q96RI1 1/20 0.52

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
SCHEMBL3101757 1.00 NR4A2 (0.65) NR4A2KMT2AAKR1C3NPC1RAB9A
SCHEMBL1572959 0.86 KMT2A (0.71) NR4A2KMT2AAKR1C3NPC1RAB9A
SCHEMBL28029093 0.85 PARP1 (0.62) NR4A2KMT2A
SCHEMBL30167982 0.85 KMT2A (0.80) NR4A2KMT2AAKR1C3NPC1RAB9A
SCHEMBL9803295 0.85 KMT2A (0.80) NR4A2KMT2AAKR1C3NPC1RAB9A
SCHEMBL10787479 0.85 KMT2A (0.80) NR4A2KMT2AAKR1C3NPC1RAB9A
Hydrochloric Acid SCHEMBL25378558 0.84 KMT2A (0.69) NR4A2KMT2AAKR1C3NR1H4
SCHEMBL14384059 0.84 KMT2A (0.69) NR4A2KMT2AAKR1C3NR1H4
SCHEMBL14384068 0.84 KMT2A (0.69) NR4A2KMT2AAKR1C3NR1H4
SCHEMBL4509654 0.83 KMT2A (0.77) NR4A2KMT2AAKR1C3NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218710-A1 METHOD OF TREATING CORONAVIRUS INFECTIONS COHBAR, INC. 2023-07-13 US disclosed