SCHEMBL31184698

SCHEMBL31184698

COC(=O)C1CCC(N2Cc3c(C)cccc3NC2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ ACE P12821 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ BTK Q06187 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ RAMP1 O60894 1/20 0.33
▸ CALCRL Q16602 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ JAK2 O60674 1/20 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
SCHEMBL31184574 0.87 ACE (0.37) CHRM4CHRM1ACEMMP13CDK5
SCHEMBL31184907 0.87 JAK2 (0.40) CHRM4CHRM1ACEMMP13CDK5
SCHEMBL31184661 0.82 ALDH1A1 (0.34) ALDH1A1BTKKDM4EGLAPKM
SCHEMBL31184632 0.81 MAPK1 (0.46) ALDH1A1BTKALOX15RAB9AMAPT
SCHEMBL31185102 0.80 POLB (0.44) ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL31184406 0.80 POLB (0.43) ALDH1A1HPGDSMN1; SMN2MAPTNPSR1
SCHEMBL31184724 0.78 TP53 (0.43) ALDH1A1HPGDRAB9ASMN1; SMN2KMT2A
SCHEMBL31184736 0.78 CDK5 (0.36) CHRM4CHRM1CDK5CDK5R1RAMP1
SCHEMBL31184910 0.77 TRPV1 (0.40) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL31184511 0.76 BRD4 (0.41) CHRM4CHRM1CDK5CDK5R1ALDH1A1

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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