SCHEMBL31184987

SCHEMBL31184987

COc1ccc(C)c2c1NC(=O)N(C1CCC(C)(C(=O)O)CC1)C2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 3/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ TP53 P04637 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ POLL Q9UGP5 1/20 0.32
▸ CFB P00751 3/20 0.32
▸ CRHBP P24387 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ CREBBP Q92793 1/20 0.30
▸ HRH1 P35367 1/20 0.30

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
SCHEMBL31184984 0.90 HTR2A (0.38) HTR2BHTR2AHTR2CTP53THRB
SCHEMBL31185067 0.88 POLB (0.36) HTR2BHTR2AHTR2CMAPTBRD4
SCHEMBL31184478 0.85 MAPT (0.38) TP53MAPTCRHBPCRHR2
SCHEMBL31184672 0.85 MAPT (0.36) MAPTCRHBPCRHR2
SCHEMBL31184793 0.83 ALDH1A1 (0.42) TP53MAPT
SCHEMBL31184867 0.82 ALDH1A1 (0.44) MAPTCRHBPCRHR2
SCHEMBL31184736 0.77 CDK5 (0.36) HTR2BHTR2AHTR2CHRH1
SCHEMBL31184359 0.77 POLB (0.47) TP53MAPT
SCHEMBL31185060 0.77 SMN1; SMN2 (0.47) TP53MAPT
SCHEMBL31184668 0.77 LMNA (0.42) HTR2BHTR2AHTR2CMAPTHRH1

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-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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