SCHEMBL29546399

SCHEMBL29546399

CC(C)(Cl)C(=O)c1ccc(CC2(Cc3ccc(C(=O)C(C)(C)Cl)cc3)c3ccccc3-c3cc4c(cc32)C(=O)c2ccccc2C4=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 6/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ ATM Q13315 2/20 0.38
▸ ADRA1D P25100 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ ADRA1B P35368 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TTR P02766 1/20 0.36

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
SCHEMBL23567099 1.00 KCNQ2 (0.41) KCNQ2CYP3A4ALOX15TSHRCYP1A2
SCHEMBL29546340 0.90 KCNQ2 (0.42) KCNQ2CYP3A4ALOX15TSHRCYP1A2
SCHEMBL23567373 0.90 KCNQ2 (0.42) KCNQ2CYP3A4ALOX15TSHRCYP1A2
SCHEMBL22745268 0.87 PDK2 (0.41) KCNQ2CYP3A4ALOX15TSHRCYP1A2
SCHEMBL23567073 0.85 KCNQ2 (0.40) KCNQ2CYP3A4ALOX15TSHRCYP1A2
SCHEMBL23567420 0.84 NPC1 (0.40) KCNQ2CYP3A4ALOX15TSHRCYP1A2
SCHEMBL22745175 0.82 PDK2 (0.50) NPC1RAB9AATML3MBTL1PDK2
SCHEMBL23529894 0.82 KCNQ2 (0.41) KCNQ2CYP3A4ALOX15TSHRCYP1A2
SCHEMBL23566816 0.81 ALDH1A1 (0.44) KCNQ2CYP3A4ALOX15TSHRCYP1A2
SCHEMBL29546553 0.81 ALDH1A1 (0.44) KCNQ2CYP3A4ALOX15TSHRCYP1A2

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-113004440-B Photoinitiator, preparation method and application thereof, and photocuring composition 常州强力电子新材料股份有限公司 2022-05-10 — — CN disclosed
CN-113004738-B Photo-curable composition and photo-curable ink 常州强力电子新材料股份有限公司 2022-04-22 — — CN disclosed
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