SCHEMBL29133328

SCHEMBL29133328

CC(C)(C)c1ccc(Cc2cc[c]cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
TSHR P16473 2/20 0.41
TP53 P04637 2/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BCHE P06276 2/20 0.39
ACHE P22303 2/20 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
SCHEMBL348623 0.86 TSHR (0.52) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL28439040 0.83 KCNH2 (0.59) KCNH2LMNANR1H4SIGMAR1
SCHEMBL1176609 0.81 ALDH1A1 (0.45) ADRA2AADRA2BADRA2CTSHRTP53
SCHEMBL146076 0.78 SRD5A2 (0.49) TSHRALDH1A1KIF11
Water SCHEMBL28104416 0.78 TSHR (0.48) TSHRLMNAALDH1A1BCHEACHE
SCHEMBL21735 0.78 TSHR (0.48) TSHRLMNAALDH1A1BCHEACHE
SCHEMBL320687 0.78 CALM1 (0.44) ADRA2AADRA2BADRA2CTSHRTP53
SCHEMBL3452699 0.77 CALM1 (0.57) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL6547963 0.77 TSHR (0.71) ADRA2AADRA2BADRA2CADRA1DHTR1D
SCHEMBL5535364 0.76 CA1 (0.58) LMNASMN1; SMN2HTTEPHX2NR1H4

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-117285668-A Ethylene-propylene copolymer catalyst composition and preparation and application thereof 中国石油天然气股份有限公司 2023-12-26 CN disclosed