SCHEMBL24090201

SCHEMBL24090201

CC(C)(C)NCCOCCOCCNC(=O)/C=C/c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.57
KMT2A Q03164 3/20 0.57
ALDH1A1 P00352 3/20 0.57
EGFR P00533 2/20 0.54
MMP1 P03956 2/20 0.53
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
POLB P06746 1/20 0.53
RECQL P46063 1/20 0.53
PYGL P06737 1/20 0.51
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48

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
SCHEMBL24090247 0.86 SMN1; SMN2 (0.61) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL2385951 0.85 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL22881963 0.85 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL22882086 0.85 RAB9A (0.57) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL29992174 0.85 RAB9A (0.57) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL24090210 0.85 AKR1B10 (0.57) SMN1; SMN2KMT2AALDH1A1EGFRMAPT
SCHEMBL22882056 0.83 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL21593779 0.82 SMN1; SMN2 (0.68) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL22881994 0.82 SMN1; SMN2 (0.60) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL29857811 0.82 SMN1; SMN2 (0.63) 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-20210380727-A1 NOVEL PHOTOCROSSLINKABLE ALGINIC ACID DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2021-12-09 US disclosed