SCHEMBL6686883

SCHEMBL6686883

CCc1ccc(CC)c(C(=O)c2cc(C(=O)O)c(C(=O)c3cc(CC)ccc3CC)cc2C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
USP2 O75604 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
KLKB1 P03952 1/20 0.41
CTSB P07858 1/20 0.41
MMP9 P14780 1/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3B Q9UBC3 1/20 0.41
DNMT3L Q9UJW3 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.41
KAT8 Q9H7Z6 2/20 0.40
CDC25B P30305 1/20 0.40
CASP6 P55212 1/20 0.40
RCE1 Q9Y256 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL3388697 0.87 ALDH1A1 (0.52) METAP2ALDH1A1MEN1KMT2AUSP2
SCHEMBL1287171 0.81 ALDH1A1 (0.54) METAP2ALDH1A1MEN1KMT2AUSP2
SCHEMBL28512310 0.80 ALDH1A1 (0.52) METAP2ALDH1A1MEN1KMT2AUSP2
SCHEMBL22389564 0.79 PTGS2 (0.55) METAP2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6445457 0.79 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTKLKB1
SCHEMBL14093023 0.77 ALDH1A1 (0.46) METAP2ALDH1A1MEN1KMT2AUSP2
SCHEMBL12339916 0.77 ALDH1A1 (0.48) METAP2ALDH1A1MEN1KMT2AUSP2
SCHEMBL3385017 0.76 ALDH1A1 (0.52) METAP2ALDH1A1MEN1KMT2AUSP2
SCHEMBL10818516 0.76 IKBKB (0.45) METAP2ALDH1A1MEN1KMT2AUSP2
SCHEMBL8160238 0.76 HSD17B1 (0.44) METAP2ALDH1A1MEN1KMT2AUSP2

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
EP-1433211-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M Innovative Properties Company (US) 2004-06-30 EP disclosed
WO-2003028125-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 WO disclosed