SCHEMBL8105500

SCHEMBL8105500

COc1ccc(N2C[C@](C)(COc3ccc(C=O)cc3)OC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP2A6 P11509 1/20 0.44
GRM2 Q14416 2/20 0.39
PTGS2 P35354 2/20 0.38
HPGD P15428 4/20 0.37
HSD17B3 P37058 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PIM1 P11309 1/20 0.36
AKR1B1 P15121 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.36
CYP11B2 P19099 1/20 0.35
PTPN1 P18031 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8105511 1.00 ALDH1A1 (0.44) ALDH1A1CYP2A6GRM2PTGS2HPGD
SCHEMBL8105507 1.00 ALDH1A1 (0.44) ALDH1A1CYP2A6GRM2PTGS2HPGD
SCHEMBL8114802 0.84 PTGER4 (0.42) ALDH1A1GRM2USP2MAPTLMNA
SCHEMBL8114803 0.84 PTGER4 (0.42) ALDH1A1GRM2USP2MAPTLMNA
SCHEMBL8114798 0.84 PTGER4 (0.42) ALDH1A1GRM2USP2MAPTLMNA
SCHEMBL8114711 0.77 GRM2 (0.41) ALDH1A1GRM2HPGDNPC1RAB9A
SCHEMBL8114709 0.77 GRM2 (0.41) ALDH1A1GRM2HPGDNPC1RAB9A
SCHEMBL8114710 0.77 GRM2 (0.41) ALDH1A1GRM2HPGDNPC1RAB9A
SCHEMBL8115869 0.72 GRM2 (0.74) GRM2
SCHEMBL8116171 0.69 RASGRP3 (0.54) ALDH1A1MEN1KMT2ATDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605729-B1 OXAZOLIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2000-07-26 EP disclosed
US-5521202-A ANTIDIABETIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
US-5480899-A ANTILIPEMIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-01-02 US disclosed
EP-0645387-A1 THIAZOLIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-03-29 EP disclosed
EP-0605729-A1 OXAZOLIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 1994-07-13 EP disclosed