SCHEMBL28260760

SCHEMBL28260760

O=CNOC(=O)C(O)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CYP1A2 P05177 1/20 0.42
CTSB P07858 2/20 0.40
SRR Q9GZT4 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MMP8 P22894 1/20 0.40
CAPN1 P07384 1/20 0.40
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
CTRB1 P17538 2/20 0.39
CPA3 P15088 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
SCHEMBL28155690 0.83 ALPI (0.54) EPHX1KMT2AMEN1TAAR1SRR
SCHEMBL5994752 0.81 SRR (0.47) EPHX1KMT2AMEN1CYP1A2SRR
SCHEMBL16431222 0.79 CTSB (0.54) EPHX1KMT2ACTSBMMP8CTRB1
SCHEMBL180159 0.78 KMT2A (0.55) KMT2AMEN1CYP1A2NPC1RAB9A
SCHEMBL3980617 0.78 KMT2A (0.55) KMT2AMEN1CYP1A2NPC1RAB9A
SCHEMBL979240 0.78 KMT2A (0.55) KMT2AMEN1CYP1A2NPC1RAB9A
SCHEMBL6929828 0.77 ALDH1A1 (0.54) KMT2ASRRNPC1RAB9AALPI
SCHEMBL8583257 0.77 ALPI (0.47) SRRNPC1RAB9AMMP8ALPI
SCHEMBL262278 0.74 ALDH1A1 (0.55) KMT2ACYP1A2CTSBSRRCTRB1
SCHEMBL2336410 0.74 SRR (0.55) EPHX1CYP1A2SRRALPIPKM

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-108976181-A A kind of preparation method of amorphous Cabazitaxel 江苏红豆杉药业有限公司 2018-12-11 CN disclosed