SCHEMBL11593385

SCHEMBL11593385

COC(=O)CCCn1c(=O)n(CCCC(=O)OC)c(=O)n(-c2ccccc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ FAAH O00519 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ GAA P10253 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TNF P01375 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KAT2B Q92831 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL11714254 0.86 TNF (0.57) FAAHALDH1A1MEN1KMT2AKDM4E
SCHEMBL11712403 0.83 FABP4 (0.54) GSK3AGSK3BMEN1KMT2ATSHR
SCHEMBL11134221 0.83 HTR7 (0.47) FAAHKDM4ETP53LMNATNF
SCHEMBL11133032 0.83 HTR7 (0.47) FAAHKDM4ETP53LMNATNF
SCHEMBL11512747 0.82 KDM4E (0.57) FAAHALDH1A1MEN1KMT2ATSHR
SCHEMBL11127880 0.81 FAAH (0.56) FAAHALDH1A1MEN1RAB9AKMT2A
SCHEMBL24703577 0.80 TSHR (0.62) FAAHALDH1A1TSHRTP53KAT2B
SCHEMBL8413938 0.79 TSHR (0.46) GSK3AGSK3BALDH1A1MEN1KMT2A
SCHEMBL11630854 0.77 GSK3A (0.55) GSK3AGSK3BALDH1A1RAB9ATSHR
SCHEMBL11714057 0.77 MAPT (0.54) GSK3AGSK3BALDH1A1TSHRKDM4E

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-4108841-A FROM DIACIDS CONTAINING HETEROCYCLIC RINGS CIBA-GEIGY CORPORATION (US) 1978-08-22 — — US disclosed
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