SCHEMBL28260307

SCHEMBL28260307

CCCCCCC(CC#N)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.49
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.49
RARA P10276 1/20 0.49
MAPT P10636 1/20 0.49
MTOR P42345 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PLA2G4B P0C869 1/20 0.43
HPGD P15428 1/20 0.42
BDKRB2 P30411 1/20 0.42

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
SCHEMBL28260242 0.85 RARB (0.55) RARBALDH1A1MEN1RARAMAPT
SCHEMBL28260261 0.83 RARB (0.54) RARBALDH1A1MEN1RARAMAPT
Hydrochloric Acid SCHEMBL395392 0.81 RARB (0.51) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9700188 0.79 RARB (0.53) RARBALDH1A1MEN1RARAMAPT
SCHEMBL28261661 0.77 RARB (0.56) RARBALDH1A1MEN1RARAMAPT
SCHEMBL29127647 0.77 RARB (0.56) RARBALDH1A1MEN1RARAMAPT
SCHEMBL21800789 0.76 ANPEP (0.58) RARBALDH1A1MEN1RARAMAPT
SCHEMBL11658538 0.75 RARB (0.60) RARBALDH1A1MEN1RARAMAPT
SCHEMBL3298518 0.74 RARB (0.52) RARBALDH1A1MEN1RARAMAPT
SCHEMBL28414679 0.74 RARB (0.52) RARBALDH1A1MEN1RARAMAPT

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-108884058-A MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS 阿奇克斯制药公司 2018-11-23 CN disclosed