SCHEMBL8659100

SCHEMBL8659100

C=CCc1ccccc1C([SnH3])(CC=C)CC=C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
AKR1B1 P15121 1/20 0.31
MAPT P10636 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRA2C P18825 2/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
NISCH Q9Y2I1 1/20 0.31

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
SCHEMBL790381 0.81 GABRA1 (0.39) GABRA1GABRB2ALDH1A1TSHRKDM4E
SCHEMBL792521 0.78 GABRA1 (0.39) GABRA1GABRB2ALDH1A1TSHRKDM4E
SCHEMBL14472081 0.78 GABRA1 (0.39) GABRA1GABRB2ALDH1A1TSHRKDM4E
SCHEMBL28899369 0.78 GABRA1 (0.43) GABRA1GABRB2ALDH1A1TSHRHTT
SCHEMBL144630 0.78 GABRA1 (0.39) GABRA1GABRB2ALDH1A1TSHRKDM4E
Water SCHEMBL2836979 0.76 GABRA1 (0.38) GABRA1GABRB2ALDH1A1TSHRKDM4E
Bromide SCHEMBL4908296 0.76 GABRA1 (0.38) GABRA1GABRB2ALDH1A1TSHRKDM4E
Hydrochloric Acid SCHEMBL668040 0.76 GABRA1 (0.38) GABRA1GABRB2ALDH1A1TSHRKDM4E
SCHEMBL11056233 0.75 GABRA1 (0.41) GABRA1GABRB2ALDH1A1TSHRHTT
SCHEMBL8522980 0.75 GABRA1 (0.42) GABRA1GABRB2ALDH1A1KDM4EAKR1B1

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-5835245-A Holographic method and materials to detect and prevent forgery in identity cards BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-11-10 US disclosed