SCHEMBL28997309

SCHEMBL28997309

CN(C)C(Cc1ccccc1)(C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CYP2C19 P33261 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALOX15 P16050 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
RIPK1 Q13546 1/20 0.42
SLC6A2 P23975 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL28140995 0.78 HIF1A (0.50) HIF1ASMN1; SMN2NPC1RAB9ACA12
SCHEMBL31212623 0.78 HIF1A (0.50) HIF1ASMN1; SMN2NPC1RAB9ACA12
SCHEMBL498294 0.78 HIF1A (0.50) HIF1ASMN1; SMN2NPC1RAB9ACA12
SCHEMBL11454892 0.78 TRPA1 (0.46) HIF1ASMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL17612029 0.77 HIF1A (0.58) HIF1ASMN1; SMN2NPC1RAB9ACA12
SCHEMBL7867681 0.77 SMN1; SMN2 (0.44) HIF1ASMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL27843740 0.76 HIF1A (0.47) HIF1ASMN1; SMN2NPC1RAB9ACA12
SCHEMBL11454894 0.76 HIF1A (0.47) HIF1ASMN1; SMN2NPC1RAB9ACYP2C19
Trifluoroacetic Acid SCHEMBL14861261 0.75 CES1 (0.43) HIF1ASMN1; SMN2CYP2C19KMT2AMEN1
SCHEMBL202327 0.73 BLM (0.72) HIF1ASMN1; SMN2CYP2C19KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894268-A Light background blue light absorbent and preparation method and application thereof 包头稀土研究院 2023-04-04 CN claimed
CN-115894268-A Light background blue light absorbent and preparation method and application thereof 包头稀土研究院 2023-04-04 CN disclosed