SCHEMBL26796017

SCHEMBL26796017

CCC1CC2CC(COc3ccc(S(=O)(=O)O)cc3)CC(C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
YAP1 P46937 1/20 0.36
TEAD4 Q15561 1/20 0.36
TEAD2 Q15562 1/20 0.36
PARP15 Q460N3 3/20 0.36
PARP10 Q53GL7 3/20 0.36
PARP2 Q9UGN5 2/20 0.36
KMT2A Q03164 1/20 0.36
MMP3 P08254 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL20439442 0.81 CNR2 (0.38) PKMGAANPSR1YAP1TEAD4
SCHEMBL18088474 0.79 PARP15 (0.56) PKMGAAALDH1A1LMNAPARP15
SCHEMBL19874554 0.77 PARP15 (0.54) PKMGAAALDH1A1LMNAPARP15
SCHEMBL3546668 0.77 PARP15 (0.54) PKMGAAALDH1A1LMNAPARP15
SCHEMBL755720 0.71 CA12 (0.66) PKMGAAALDH1A1LMNANPSR1
Hydrochloric Acid SCHEMBL11519194 0.70 CA12 (0.63) PKMGAAALDH1A1LMNANPSR1
SCHEMBL11087708 0.70 CA12 (0.63) PKMGAAALDH1A1LMNANPSR1
SCHEMBL2611718 0.70 SCN9A (0.44) GAAALDH1A1CA12CA2CA9
Methylene Chloride SCHEMBL28109052 0.69 CA12 (0.58) PKMGAAALDH1A1LMNANPSR1
SCHEMBL4527668 0.69 CA12 (0.68) LMNACA12CA1CA2CA7

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-20230367210-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2023-11-16 US disclosed