SCHEMBL31498326

SCHEMBL31498326

Cc1ccc2c(c1)CC(C1CCCCC1)CC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DRD2 P14416 3/20 0.35
▸ DRD3 P35462 3/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ ADRA2A P08913 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ CCR1 P32246 2/20 0.33
▸ CCR2 P41597 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CASP1 P29466 1/20 0.33

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
SCHEMBL597666 0.74 SRD5A1 (0.42) SRD5A1ALDH1A1CYP3A4ACHEDRD2
SCHEMBL23607149 0.73 DRD2 (0.62) ALDH1A1ACHEDRD2DRD3
SCHEMBL10130323 0.73 DRD2 (0.45) SRD5A1ALDH1A1CYP3A4ACHEMEN1
SCHEMBL15759229 0.72 MEN1 (0.45) ALDH1A1CYP3A4MEN1KMT2ATP53
SCHEMBL22259677 0.72 NPC1 (0.32) SRD5A1ALDH1A1CYP3A4
SCHEMBL6455983 0.71 ALDH1A1 (0.35) SRD5A1ALDH1A1CYP3A4ACHE
SCHEMBL6455988 0.71 ALDH1A1 (0.35) SRD5A1ALDH1A1CYP3A4ACHE
SCHEMBL22005789 0.71 DPP4 (0.47) ALDH1A1ADRA2A
SCHEMBL20909683 0.70 DRD3 (0.46) SRD5A1ALDH1A1CYP3A4ACHEDRD2
SCHEMBL19381947 0.70 SRD5A1 (0.39) SRD5A1ALDH1A1CYP3A4ACHEDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119842423-A High-density fuel oil and preparation method thereof 陕西煤基特种燃料研究院有限公司 2025-04-18 — — CN disclosed
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