SCHEMBL9645646

SCHEMBL9645646

CC(C)C(O)Cc1ccccc1N

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
TRPA1 O75762 3/20 0.36
ESR1 P03372 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALOX15 P16050 2/20 0.35
CYP3A4 P08684 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TSHR P16473 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
SCHEMBL4931748 0.83 FDPS (0.39) FDPSGABRA1GABRB2ESR1KCNH2
SCHEMBL16197829 0.83 FDPS (0.39) FDPSGABRA1GABRB2ESR1KCNH2
SCHEMBL8724597 0.83 FDPS (0.38) FDPSGABRA1GABRB2TRPA1TAAR1
SCHEMBL3068875 0.79 FDPS (0.41) FDPSALOX15CYP3A4CASP1CASP7
SCHEMBL270111 0.79 GABRA1 (0.52) FDPSGABRA1GABRB2ALOX15CYP3A4
SCHEMBL3136722 0.78 FDPS (0.40) FDPSTRPA1ESR1KCNH2ALOX15
SCHEMBL31314997 0.77 GABRA1 (0.38) FDPSGABRA1GABRB2ESR1KCNH2
SCHEMBL1724429 0.77 SLC6A2 (0.52) TAAR1MAOASLC6A2SLC6A4SLC6A3
SCHEMBL5680506 0.76 TAAR1 (0.42) KCNH2CYP3A4TAAR1SLC6A2SLC6A4
SCHEMBL21777254 0.76 TAAR1 (0.41) GABRA1GABRB2TRPA1ALOX15TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4757152-A Process for producing indoles RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1988-07-12 US claimed
EP-0182256-B1 PROCESS FOR PRODUCING INDOLES RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1992-10-07 EP disclosed
US-4757152-A Process for producing indoles RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1988-07-12 US disclosed
EP-0182256-A2 Process for producing indoles RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1986-05-28 EP disclosed