SCHEMBL29992174

SCHEMBL29992174

CC(C)(C)OC(=O)NCCOCCOCCNC(=O)C=Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 2/20 0.55
MMP1 P03956 2/20 0.51
MMP2 P08253 2/20 0.51
MMP9 P14780 2/20 0.51
POLB P06746 1/20 0.51
RECQL P46063 1/20 0.51
EGFR P00533 2/20 0.51
PYGL P06737 1/20 0.49
IDO1 P14902 1/20 0.48
ADRB2 P07550 1/20 0.48
HTR1A P08908 1/20 0.48
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL22882086 1.00 RAB9A (0.57) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL29830593 0.89 KMT2A (0.67) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL23196471 0.89 KMT2A (0.67) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL29992035 0.88 AKR1B10 (0.52) RAB9ASMN1; SMN2KMT2AALDH1A1IDO1
SCHEMBL22882099 0.88 AKR1B10 (0.52) RAB9ASMN1; SMN2KMT2AALDH1A1IDO1
SCHEMBL24090201 0.85 RAB9A (0.60) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL22881963 0.83 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL2385951 0.83 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL24090247 0.81 SMN1; SMN2 (0.61) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL22882056 0.81 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1

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-11472891-B2 Photocrosslinkable alginic acid derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2022-10-18 US disclosed