SCHEMBL29990799

SCHEMBL29990799

COc1ccc(C(OS)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 1/20 0.50
▸ KIF11 P52732 9/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ LTA4H P09960 2/20 0.48
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ TRPA1 O75762 1/20 0.44
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL10098811 1.00 CA4 (0.50) CA4KIF11KCNH2LTA4HCA12
SCHEMBL8784660 0.83 CA4 (0.54) CA4KIF11KCNH2LTA4HCA12
SCHEMBL136229 0.83 CA4 (0.54) CA4KIF11KCNH2LTA4HCA12
SCHEMBL774134 0.83 CA4 (0.54) CA4KIF11KCNH2LTA4HCA12
SCHEMBL434969 0.83 CA4 (0.54) CA4KIF11KCNH2LTA4HCA12
SCHEMBL7360020 0.82 KIF11 (0.44) KIF11
Hydrochloric Acid SCHEMBL30389842 0.82 CA4 (0.52) CA4KIF11KCNH2LTA4HCA12
Bromide SCHEMBL31164184 0.82 CA4 (0.52) CA4KIF11KCNH2LTA4HCA12
Methane SCHEMBL20403330 0.80 KIF11 (0.43) KIF11
SCHEMBL8728585 0.80 CA4 (0.50) CA4KIF11KCNH2LTA4HCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419513-A1 ANTITUMORAL COMPOUNDS Pharma Mar S.A. (ES) 2024-08-28 — — EP disclosed
WO-2023067132-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2023-04-27 — — WO disclosed
EP-4138923-A1 DRUG ANTIBODY CONJUGATES Pharma Mar, S.A. (ES) 2023-03-01 — — EP disclosed
CN-115427081-A Drug antibody conjugates 法马马有限公司 2022-12-02 — — CN disclosed
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