SCHEMBL8143137

SCHEMBL8143137

O=C(O)C1OC(C(Cl)(Cl)Cl)NC1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CHRNA7 P36544 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
EDNRA P25101 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.31
CYP1A2 P05177 2/20 0.31
TP53 P04637 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CA2 P00918 1/20 0.30
GBA1 P04062 1/20 0.30

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
SCHEMBL8863060 1.00 EPHX1 (0.37) EPHX1SMN1; SMN2CYP2D6TSHRCHRNA7
SCHEMBL8476572 1.00 EPHX1 (0.37) EPHX1SMN1; SMN2CYP2D6TSHRCHRNA7
SCHEMBL8482165 0.84 CYP2D6 (0.46) SMN1; SMN2CYP2D6TSHRGAAPOLB
SCHEMBL6937090 0.76 CHRNA7 (0.42) EPHX1SMN1; SMN2CYP2D6TSHRCHRNA7
SCHEMBL7836631 0.67 ALDH1A1 (0.51) SMN1; SMN2CYP2D6TSHRMEN1KMT2A
SCHEMBL15713298 0.67 ALDH1A1 (0.51) SMN1; SMN2CYP2D6TSHRMEN1KMT2A
SCHEMBL18091184 0.67 ALDH1A1 (0.51) SMN1; SMN2CYP2D6TSHRMEN1KMT2A
SCHEMBL7836638 0.67 ALDH1A1 (0.51) SMN1; SMN2CYP2D6TSHRMEN1KMT2A
SCHEMBL4729434 0.66 MEN1 (0.43) CYP2D6MEN1KMT2AEDNRAGAA
SCHEMBL4729436 0.66 MEN1 (0.43) CYP2D6MEN1KMT2AEDNRAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1097044-C Taxane derivatives and drugs contg. same YAKULT HONSHA KK (JP) 2002-12-25 CN disclosed
US-6025385-A HIGH SOLUBILITY IN WATER AND ALSO HAS EXCELLENT ANTITUMOR ACTIVITIES. KABUSHIKI KAISHA YAKULT HONSHA (JP) 2000-02-15 US disclosed
CN-1225633-A Taxane derivatives and drugs containing the same YAKULT HONSHA KK (JP) 1999-08-11 CN disclosed
EP-0930309-A1 TAXANE DERIVATIVES AND DRUGS CONTAINING THE SAME KABUSHIKI KAISHA YAKULT HONSHA (JP) 1999-07-21 EP disclosed