SCHEMBL11060451

SCHEMBL11060451

C=C(CCN)c1ccccc1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.42
GABRB2 P47870 2/20 0.42
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
SLC6A2 P23975 5/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HTR2B P41595 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL11842763 0.80 GABRA1 (0.45) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL15966565 0.76 MAOA (0.59) TSHRHPGDMAOAMAOBKMT2A
SCHEMBL6547552 0.76 GABRA1 (0.41) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL19519579 0.75 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL1362730 0.73 GABRA1 (0.50) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL24405157 0.72 KDM4E (0.46) HPGDHTR2CHTR2BMAOAMAOB
Hydrogen Peroxide SCHEMBL9619640 0.71 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL19290006 0.70 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL19289990 0.70 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL394900 0.69 GABRA1 (0.44) GABRA1GABRB2GABRG2GABRB3SLC6A2

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
US-4471079-A POLYMERIC DYE FROM POLYMER CONTAINING AMINO GROUPS AND ANIONIC OR REACTIVE DYE PILOT MAN-NEN HITSU KABUSHIKI KAISHA (JP) 1984-09-11 US disclosed