SCHEMBL29048864

SCHEMBL29048864

CCCCCCCCCCC(=O)Oc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA2 P00918 3/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 1/20 0.47
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
PTGS2 P35354 1/20 0.46
S1PR3 Q99500 1/20 0.46
STS P08842 4/20 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
SCHEMBL3210161 1.00 KMT2A (0.56) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL168079 1.00 KMT2A (0.56) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL8934481 1.00 KMT2A (0.56) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL27917274 1.00 KMT2A (0.56) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL167269 1.00 KMT2A (0.56) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL167097 1.00 KMT2A (0.56) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL5706182 0.98 KMT2A (0.54) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL9780313 0.98 KMT2A (0.54) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL6902490 0.98 KMT2A (0.54) KMT2ASMN1; SMN2CA2NPC1RAB9A
SCHEMBL158351 0.98 KMT2A (0.54) KMT2ASMN1; SMN2CA2NPC1RAB9A

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-116352933-A Release agent composition and application thereof, and rubber part release method 北京中科纳通电子技术有限公司 2023-06-30 CN claimed
CN-116352932-A Surface demolding method for special-shaped substrate 北京中科纳通电子技术有限公司 2023-06-30 CN claimed