SCHEMBL30630552

SCHEMBL30630552

COC(=O)C1(O)CCN(C(=O)c2cc(-c3cc(OC)ncc3Cl)[nH]n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.36
▸ MC4R P32245 4/20 0.35
▸ GPR183 P32249 1/20 0.34
▸ LRRK2 Q5S007 2/20 0.33
▸ KDM5A P29375 2/20 0.33
▸ HTR1A P08908 4/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ FASN P49327 1/20 0.32
▸ SMO Q99835 1/20 0.32
▸ ACACA Q13085 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL24424352 1.00 ACACB (0.36) ACACBMC4RGPR183LRRK2KDM5A
SCHEMBL24424639 0.91 ACACB (0.37) ACACBMC4RGPR183LRRK2KDM5A
SCHEMBL24424425 0.85 NPC1 (0.42) MEN1ALDH1A1KMT2A
SCHEMBL24422999 0.82 POLB (0.44) EPHX2
SCHEMBL29583762 0.82 POLB (0.44) EPHX2
SCHEMBL29585960 0.81 SMO (0.44) KDM5ASMOMEN1ALDH1A1KMT2A
SCHEMBL29243339 0.81 SMO (0.44) KDM5ASMOMEN1ALDH1A1KMT2A
SCHEMBL24423866 0.81 GAA (0.40) KDM5ASMOALDH1A1KMT2A
SCHEMBL30298763 0.80 KDM5A (0.39) KDM5ASMOMEN1ALDH1A1KMT2A
SCHEMBL24423782 0.80 ALDH1A1 (0.41) KDM5AMEN1ALDH1A1LMNAKMT2A

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
CN-116635380-A PPARgamma modulators and methods of use 卫材R&D管理有限公司 2023-08-22 — — CN disclosed
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