SCHEMBL31403442

SCHEMBL31403442

CCCc1c(-c2ccccc2)c(C2CCCCC2)c(F)c(F)c1C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ DRD5 P21918 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CTSK P43235 4/20 0.32
▸ CTSS P25774 3/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ MAT2A P31153 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL31403438 0.89 MEN1 (0.34) DRD2DRD1DRD4DRD5DRD3
SCHEMBL30352766 0.81 ALDH1A1 (0.32) DRD2DRD1DRD4DRD5DRD3
SCHEMBL30450532 0.79 GABRA1 (0.33) NPSR1HPGDALDH1A1
SCHEMBL29393395 0.78 EPHX2 (0.34) CTSKCTSSGAACNR1CNR2
SCHEMBL31380083 0.75 EPHX2 (0.35) CTSKCTSSABCB1
SCHEMBL29214526 0.74 MEN1 (0.34) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL29016457 0.73 ALDH1A1 (0.33) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL28435916 0.72 ABCB1 (0.37) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL28435918 0.72 ABCB1 (0.37) MEN1MAPTRAB9AKMT2ANPSR1
SCHEMBL14861353 0.72 EPHX2 (0.35) DRD2DRD1DRD4DRD5DRD3

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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