SCHEMBL28563201

SCHEMBL28563201

N#Cc1ccccc1Cn1ccc2cc(C(=O)O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.48
RORC P51449 1/20 0.47
ALDH1A1 P00352 2/20 0.46
GALR3 O60755 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.44
APP P05067 1/20 0.43

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
SCHEMBL28573940 0.86 HDAC8 (0.46) PPARGALDH1A1GALR3RAB9ASMN1; SMN2
SCHEMBL28566467 0.81 PLAU (0.56) PPARGRAB9ASMN1; SMN2
SCHEMBL28565969 0.81 PPARG (0.53) PPARGRAB9ASMN1; SMN2TSHR
SCHEMBL14121203 0.81 PPARG (0.50) PPARG
SCHEMBL4201771 0.80 ALDH1A1 (0.48) ALDH1A1GALR3RAB9AMAPTSMN1; SMN2
SCHEMBL14233800 0.79 PPARG (0.70) PPARG
SCHEMBL15971036 0.79 PLAU (0.57) PPARGAPP
SCHEMBL30888879 0.79 PLAU (0.57) PPARGAPP
SCHEMBL6087730 0.79 ALDH1A1 (0.59) ALDH1A1GALR3RAB9AMAPTSMN1; SMN2
SCHEMBL28582467 0.78 PPARG (0.52) PPARG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112759541-B Indole-like derivatives and uses thereof 复旦大学 2023-03-17 CN disclosed
CN-112759541-A Indole-like derivatives and uses thereof 复旦大学 2021-05-07 CN disclosed