SCHEMBL31154591

SCHEMBL31154591

OCC1CCCCC1CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.39
▸ GBA1 P04062 1/20 0.37
▸ PABPC1 P11940 1/20 0.35
▸ APOBEC3A P31941 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ NOS1 P29475 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ CHRM5 P08912 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ EPHX1 P07099 2/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ALOX5 P09917 1/20 0.30

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
SCHEMBL6564377 0.84 TDP1 (0.48) TDP1GBA1PABPC1APOBEC3AAPOBEC3G
SCHEMBL19201526 0.84 TDP1 (0.48) TDP1GBA1PABPC1APOBEC3AAPOBEC3G
SCHEMBL2128168 0.84 TDP1 (0.48) TDP1GBA1PABPC1APOBEC3AAPOBEC3G
SCHEMBL6562442 0.84 TDP1 (0.48) TDP1GBA1PABPC1APOBEC3AAPOBEC3G
SCHEMBL8943002 0.84 TDP1 (0.48) TDP1GBA1PABPC1APOBEC3AAPOBEC3G
SCHEMBL130804 0.81 TDP1 (0.50) TDP1GBA1PABPC1APOBEC3AAPOBEC3G
SCHEMBL33424 0.81 TDP1 (0.50) TDP1GBA1PABPC1APOBEC3AAPOBEC3G
SCHEMBL130805 0.81 TDP1 (0.50) TDP1GBA1PABPC1APOBEC3AAPOBEC3G
SCHEMBL12816270 0.81 TDP1 (0.50) TDP1GBA1PABPC1APOBEC3AAPOBEC3G
SCHEMBL129425 0.81 TDP1 (0.50) TDP1GBA1PABPC1APOBEC3AAPOBEC3G

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-118813292-A High-density fuel and production method thereof 陕西煤基特种燃料研究院有限公司 2024-10-22 — — CN disclosed
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