SCHEMBL29004333

SCHEMBL29004333

CCCCc1ccc(OC(=O)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 6/20 0.67
▸ ALDH1A1 P00352 3/20 0.59
▸ MAPT P10636 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ RARA P10276 1/20 0.59
▸ MTOR P42345 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ THRB P10828 2/20 0.52
▸ PLA2G4B P0C869 2/20 0.51
▸ RXRA P19793 1/20 0.51
▸ RXRB P28702 1/20 0.51
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ THRA P10827 1/20 0.50
▸ PLK1 P53350 1/20 0.50

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
SCHEMBL9649984 1.00 RARB (0.67) RARBALDH1A1MAPTMEN1RARA
SCHEMBL2020880 0.96 RARB (0.75) RARBALDH1A1MAPTMEN1RARA
SCHEMBL6704732 0.95 RARB (0.68) RARBALDH1A1MAPTMEN1RARA
SCHEMBL9127669 0.94 RARB (0.68) RARBALDH1A1MAPTMEN1RARA
SCHEMBL9127851 0.94 RARB (0.68) RARBALDH1A1MAPTMEN1RARA
SCHEMBL11121068 0.94 RARB (0.68) RARBALDH1A1MAPTMEN1RARA
SCHEMBL27515326 0.94 RARB (0.68) RARBALDH1A1MAPTMEN1RARA
SCHEMBL11672547 0.94 RARB (0.68) RARBALDH1A1MAPTMEN1RARA
SCHEMBL7951967 0.94 THRB (0.58) RARBALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL7210214 0.94 THRB (0.58) RARBALDH1A1MAPTKMT2ASMN1; SMN2

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-114956976-A Novel indenofluorene-6, 12-diketone derivative and synthetic method and application thereof 商丘师范学院 2022-08-30 — — CN disclosed
Send feedback