SCHEMBL31437985

SCHEMBL31437985

COC(=O)COc1cc(F)c(Br)cc1C(=O)C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 1/20 0.36
HMGCR P04035 2/20 0.36
GLA P06280 1/20 0.36
CPS1 P31327 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CTSB P07858 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL31438008 0.86 PKM (0.46) PTGDRPTGDR2
SCHEMBL38656490 0.85 MAPT (0.39) PTGDRPTGDR2LMNAALDH1A1MAPT
SCHEMBL31474262 0.76 LMNA (0.49) PTGDRPTGDR2LMNAALDH1A1MAPT
SCHEMBL31104263 0.75 IDO1 (0.39) LMNAALDH1A1MAPTCPS1MEN1
SCHEMBL31437979 0.73 IDO1 (0.37) ALDH1A1CPS1MEN1KMT2AGAA
SCHEMBL31437993 0.72 IDO1 (0.36) ALDH1A1CPS1MEN1KMT2AGAA
SCHEMBL25289926 0.69 PTGS2 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL31150276 0.69 PTGS2 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL26968155 0.69 LMNA (0.47) PTGDRPTGDR2LMNAALDH1A1MAPT
SCHEMBL22823751 0.68 HMGCR (0.41) LMNAALDH1A1MAPTHMGCRMEN1

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-4741383-A1 COMPOUND AND USE THEREOF AS ANTI-CANCER DRUG Tyligand Bioscience (Shanghai) Limited (CN) 2026-05-13 EP disclosed
WO-2025011480-A1 COMPOUND AND USE THEREOF AS ANTI-CANCER DRUG 泰励生物科技(上海)有限公司 2025-01-16 WO disclosed