SCHEMBL31403438

SCHEMBL31403438

CCc1c(-c2ccccc2)c(C2CCCCC2)c(F)c(F)c1C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ABCB1 P08183 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ MAT2A P31153 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ GCGR P47871 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ PSMB8 P28062 1/20 0.32
▸ PSMB5 P28074 1/20 0.32

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
SCHEMBL31403442 0.89 DRD2 (0.35) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL29214526 0.82 MEN1 (0.34) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL29016457 0.80 ALDH1A1 (0.33) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL31186270 0.78 ADORA3 (0.33) MEN1MAPTRAB9AKMT2ANPSR1
Phosphine SCHEMBL5609398 0.75 MEN1 (0.36) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL28435916 0.75 ABCB1 (0.37) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL28435918 0.75 ABCB1 (0.37) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL30450532 0.71 GABRA1 (0.33) NPSR1HPGDHTR1ASLC6A2SLC6A4
SCHEMBL9779733 0.69 PTGS2 (0.40) MEN1MAPTKMT2ANPSR1ABCB1
SCHEMBL31380083 0.69 EPHX2 (0.35) ABCB1PTGS2

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
CN-119555817-A Pretreatment method for efficiently extracting trace liquid crystal monomer from water based on membrane filtration technology 南京理工大学 2025-03-04 — — CN claimed
CN-119555817-A Pretreatment method for efficiently extracting trace liquid crystal monomer from water based on membrane filtration technology 南京理工大学 2025-03-04 — — CN disclosed
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