SCHEMBL23529894

SCHEMBL23529894

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 7/20 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
▸ ADRA1D P25100 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ ADRA1B P35368 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ ALDH1A1 P00352 3/20 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
▸ MAPT P10636 1/20 0.36
▸ CASP3 P42574 2/20 0.33
▸ SENP8 Q96LD8 2/20 0.33

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
SCHEMBL23530060 0.90 KCNQ2 (0.42) KCNQ2CYP3A4ALOX15TSHRCYP1A2
SCHEMBL23567099 0.82 KCNQ2 (0.41) KCNQ2CYP3A4ALOX15TSHRCYP1A2
SCHEMBL29546399 0.82 KCNQ2 (0.41) KCNQ2CYP3A4ALOX15TSHRCYP1A2
SCHEMBL23567578 0.79 KCNQ2 (0.55) KCNQ2CYP3A4ALOX15TSHRCYP1A2
SCHEMBL29546311 0.79 KCNQ2 (0.55) KCNQ2CYP3A4ALOX15TSHRCYP1A2
SCHEMBL29546340 0.78 KCNQ2 (0.42) KCNQ2CYP3A4ALOX15TSHRCYP1A2
SCHEMBL23567373 0.78 KCNQ2 (0.42) KCNQ2CYP3A4ALOX15TSHRCYP1A2
SCHEMBL23567073 0.74 KCNQ2 (0.40) KCNQ2CYP3A4ALOX15TSHRCYP1A2
SCHEMBL23567420 0.73 NPC1 (0.40) KCNQ2CYP3A4ALOX15TSHRCYP1A2
SCHEMBL12928430 0.72 NPC1 (0.46) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021121135-A1 PHOTOINITIATOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF, AND PHOTOCURABLE COMPOSITION 常州强力电子新材料股份有限公司 2021-06-24 — — WO disclosed
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