SCHEMBL29919660

SCHEMBL29919660

CCCCN(CCCC)c1ccc2ccccc2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ HTR1B P28222 2/20 0.43
▸ HTR1D P28221 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CRHR1 P34998 2/20 0.40
▸ UTS2R Q9UKP6 1/20 0.40

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
SCHEMBL23458369 1.00 ELANE (0.44) ELANETSHRCYP1A2CYP2A6HTR1B
SCHEMBL30301305 0.81 HTR1B (0.50) ELANEHTR1BHTR1DKMT2AL3MBTL1
SCHEMBL1509321 0.81 HTR1B (0.50) ELANEHTR1BHTR1DKMT2AL3MBTL1
SCHEMBL29862254 0.81 HTR1B (0.50) ELANEHTR1BHTR1DKMT2AL3MBTL1
SCHEMBL6027676 0.77 ELANE (0.46) ELANECYP1A2KMT2AMEN1HPGD
SCHEMBL10490426 0.77 HTR1B (0.47) ELANECYP1A2HTR1BHTR1DKMT2A
SCHEMBL28753645 0.77 HTR1B (0.47) ELANECYP1A2HTR1BHTR1DKMT2A
SCHEMBL6027880 0.76 HTR1B (0.41) ELANECYP1A2HTR1BHTR1DKMT2A
SCHEMBL28682734 0.76 RAB9A (0.39) TSHRCYP1A2CYP2A6HTR1BKMT2A
SCHEMBL28024667 0.76 HTR1B (0.45) ELANEHTR1BHTR1DKMT2AL3MBTL1

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
EP-4069806-A1 METHOD OF MARKING A PETROLEUM HYDROCARBON Sicpa Holding SA (CH) 2022-10-12 — — EP disclosed
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