SCHEMBL9622975

SCHEMBL9622975

Cc1cc(C(=O)O)cc(C)c1OCCOc1c(C)cc(C(=O)O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.49
TPMT P51580 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
PLA2G2A P14555 2/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PKM P14618 1/20 0.41
HCAR1 Q9BXC0 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL1749419 0.89 THRA (0.56) THRATHRBPLA2G2A
SCHEMBL25788081 0.86 PLA2G2A (0.66) THRATHRBPLA2G2A
SCHEMBL8644661 0.86 PLA2G2A (0.66) THRATHRBPLA2G2A
SCHEMBL2358713 0.86 PLA2G2A (0.66) THRATHRBPLA2G2A
SCHEMBL9204687 0.83 THRA (0.42) PLAUTPMTTHRATHRBMEN1
SCHEMBL8131511 0.82 PTPN1 (0.44) PLAUTPMTMEN1KMT2AALDH1A1
SCHEMBL262782 0.80 SMN1; SMN2 (0.43) TPMTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2716010 0.80 TPMT (0.39) PLAUTPMTTHRATHRBMEN1
SCHEMBL12377613 0.80 POLB (0.41) PLAUTPMTTHRATHRBMEN1
SCHEMBL16645345 0.79 PLA2G2A (0.50) THRATHRBALDH1A1PLA2G2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212944-B1 MELT-PROCESSABLE AROMATIC COPOLYESTER Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1992-04-08 EP disclosed
US-4746721-A ENGINEERING PLASTICS KABUSHIKI KAISHA UENO SEIYAKU OYO KENKYUJO (JP) 1988-05-24 US disclosed
EP-0212944-A2 Melt-processable aromatic copolyester Kabushiki Kaisha Ueno Seiyaku Oyo Kenkyujo (JP) 1987-03-04 EP disclosed