SCHEMBL27696265

SCHEMBL27696265

C=CCc1[nH]cc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ HTT P42858 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADRA2B P18089 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR1E P28566 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ ADRA1B P35368 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ HTR6 P50406 1/20 0.34

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
SCHEMBL28501579 0.81 TDP1 (0.40) ALDH1A1HTTHTR1AADRA2AADRA2B
SCHEMBL292913 0.78 METAP1 (0.36) ALDH1A1ADRA2AADRA2BADRA2CHTR2A
SCHEMBL28691266 0.74 KMT2A (0.47) ALDH1A1METAP1MEN1KMT2AHPGD
SCHEMBL3430076 0.74 METAP1 (0.40) ALDH1A1HTR1DHTR2AHTR2CHTR6
SCHEMBL13978037 0.74 METAP1 (0.36) ALDH1A1HTR2AMETAP1MEN1KMT2A
SCHEMBL3028098 0.71 METAP1 (0.40) ALDH1A1HTR1DHTR2AHTR2CHTR6
SCHEMBL13376478 0.71 HTR2A (0.47) ALDH1A1HTR1DHTR2AHTR2CSLC6A4
SCHEMBL22129621 0.69 ALDH1A1 (0.35) ALDH1A1HTTLMNAHTR1AADRA2A
SCHEMBL23421392 0.69 HTR2A (0.40) HTR1AADRA2ASLC6A2HTR1DHTR2A
SCHEMBL4367677 0.68 TDP1 (0.50) ALDH1A1LMNASLC6A2KDM4EMEN1

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-101098631-A Modified proteins with altered aggregation properties CSM NEDERLAND BV (NL) 2008-01-02 — — CN disclosed
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