SCHEMBL7364455

SCHEMBL7364455

COc1ccc(COCC(N)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.53
AGXT P21549 2/20 0.53
HTT P42858 2/20 0.51
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
PARP1 P09874 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
PLA2G4B P0C869 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
FFAR1 O14842 1/20 0.47
LDHA P00338 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
SCHEMBL7720191 0.84 HTT (0.53) IDO1AGXTHTTALDH1A1NPC1
SCHEMBL99313 0.84 FFAR1 (0.57) IDO1AGXTHTTALDH1A1NPC1
SCHEMBL19002576 0.84 HTT (0.53) IDO1AGXTHTTALDH1A1NPC1
SCHEMBL4706402 0.82 HTT (0.56) IDO1AGXTHTTALDH1A1NPC1
SCHEMBL16542339 0.81 RXRA (0.45) IDO1HTTALDH1A1NPC1RAB9A
SCHEMBL21664684 0.81 RAB9A (0.54) AGXTALDH1A1NPC1RAB9APOLB
SCHEMBL4707348 0.81 ALDH1A1 (0.57) IDO1AGXTHTTALDH1A1NPC1
SCHEMBL16485634 0.81 HTT (0.56) IDO1AGXTHTTALDH1A1NPC1
SCHEMBL10072105 0.81 HTT (0.50) IDO1AGXTHTTALDH1A1NPC1
SCHEMBL24881284 0.80 CALM1 (0.51) POLBSMN1; SMN2F2RL1

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-2023220440-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-11-16 WO disclosed
US-5155228-A FK-506 C10-C18 process intermediates MERCK & CO., INC. (US) 1992-10-13 US disclosed
US-4940797-A Process for synthesis of FK-506 C10-C18 intermediates MERCK & CO., INC. (US) 1990-07-10 US disclosed