SCHEMBL8819895

SCHEMBL8819895

CCCCCCCCc1ccc(-c2ccc(C(=O)OC(C)CCCCCC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 1/20 0.59
RARA P10276 1/20 0.59
MAPT P10636 1/20 0.59
MTOR P42345 1/20 0.59
KMT2A Q03164 1/20 0.59
THRA P10827 2/20 0.50
THRB P10828 2/20 0.50
ATG4B Q9Y4P1 8/20 0.49
PLA2G1B P04054 7/20 0.49
CYP1A2 P05177 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RECQL P46063 1/20 0.49

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
SCHEMBL9165950 0.93 MAPT (0.53) RARBALDH1A1MEN1RARAMAPT
SCHEMBL8769713 0.93 MAPT (0.53) RARBALDH1A1MEN1RARAMAPT
SCHEMBL14525678 0.93 MAPT (0.53) RARBALDH1A1MEN1RARAMAPT
SCHEMBL7131644 0.92 ALDH1A1 (0.59) RARBALDH1A1MEN1RARAMAPT
SCHEMBL7127663 0.92 ALDH1A1 (0.59) RARBALDH1A1MEN1RARAMAPT
SCHEMBL7129328 0.92 ALDH1A1 (0.59) RARBALDH1A1MEN1RARAMAPT
SCHEMBL14273580 0.92 ALDH1A1 (0.59) RARBALDH1A1MEN1RARAMAPT
SCHEMBL17897419 0.92 ALDH1A1 (0.59) RARBALDH1A1MEN1RARAMAPT
SCHEMBL7129914 0.92 ALDH1A1 (0.59) RARBALDH1A1MEN1RARAMAPT
SCHEMBL9493320 0.92 ALDH1A1 (0.59) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9291283-A None JP disclosed
JP-H09291283-A IMPROVER OF LIQUID CRYSTAL CHARACTERISTIC AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME SHOWA SHELL SEKIYU KK 1997-11-11 JP disclosed