SCHEMBL30438759

SCHEMBL30438759

CCCCCCC(CC)c1cc2ccccc2nc1C(=O)NN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 1/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TRPV1 Q8NER1 9/20 0.40
▸ TLR8 Q9NR97 2/20 0.40
▸ TACR3 P29371 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ MEN1 O00255 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
SCHEMBL30438067 0.87 PPARG (0.47) PPARGPPARAALDH1A1MAPTTRPV1
SCHEMBL30438163 0.84 PPARG (0.44) PPARGPPARAALDH1A1TRPV1TLR8
Acridine SCHEMBL28059351 0.70 MAPK1 (0.50) PPARGPPARAALDH1A1MAPTTLR8
SCHEMBL8571221 0.70 ALDH1A1 (0.58) ALDH1A1GAAMAPTKDM4EPOLB
SCHEMBL30543203 0.70 TLR8 (0.41) PPARGPPARAALDH1A1TLR8MAPK1
SCHEMBL30402892 0.70 TLR8 (0.41) PPARGPPARAALDH1A1TLR8MAPK1
SCHEMBL6512765 0.69 TLR8 (0.43) PPARGPPARAALDH1A1GAAMAPT
SCHEMBL19437675 0.69 ALDH1A1 (0.50) ALDH1A1GAAMAPTKDM4EPOLB
SCHEMBL27629533 0.68 KMT2A (0.40) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL30746985 0.68 GPBAR1 (0.41) PPARGPPARAALDH1A1MAPTTLR8

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-111278817-B Polycyclic compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-05-16 — — CN disclosed
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