SCHEMBL11204136

SCHEMBL11204136

Cc1cccc(-c2ccccc2C(C)c2ccccc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.39
ADRA2A P08913 5/20 0.38
ADRA2B P18089 5/20 0.38
ADRA2C P18825 4/20 0.38
ADRA1A P35348 4/20 0.38
ADRA1B P35368 3/20 0.38
CYP2D6 P10635 3/20 0.38
ADRA1D P25100 2/20 0.38
KCNH2 Q12809 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
TSHR P16473 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
ACP3 P15309 1/20 0.38
SLC6A2 P23975 2/20 0.37
HTR7 P34969 1/20 0.37
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36

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
SCHEMBL11208747 0.87 TYR (0.42) TYRADRA2AADRA2BADRA1ACYP2D6
SCHEMBL29358402 0.87 ADRA2A (0.47) TYRADRA2AADRA2BADRA2CADRA1A
SCHEMBL115911 0.87 ADRA2A (0.47) TYRADRA2AADRA2BADRA2CADRA1A
SCHEMBL5605956 0.83 ADRA2A (0.45) TYRADRA2AADRA2BADRA2CADRA1A
SCHEMBL4156669 0.80 TYR (0.48) TYRADRA2AADRA2CCYP2D6CYP3A4
SCHEMBL29638766 0.78 ACP3 (0.50) TYRADRA2AADRA2BADRA2CADRA1A
SCHEMBL28666265 0.78 ACP3 (0.50) TYRADRA2AADRA2BADRA2CADRA1A
SCHEMBL710709 0.78 ACP3 (0.50) TYRADRA2AADRA2BADRA2CADRA1A
SCHEMBL11203841 0.77 P2RX7 (0.38) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL2844549 0.76 TYR (0.42) TYRADRA2AADRA2BADRA1ACYP2D6

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-4371726-A Composition suitable for mechanical power transmission and process for operating traction drives NIPPON STEEL CHEMICAL CO., LTD. (JP) 1983-02-01 US disclosed