SCHEMBL28898717

SCHEMBL28898717

Cc1ccccc1-c1cc(C(C)C)c(-c2ccccc2I)c(C(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.37
HTR7 P34969 3/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
MCL1 Q07820 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TRPA1 O75762 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
C1R P00736 1/20 0.31
LMNA P02545 2/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
DHFR P00374 1/20 0.31
GRIA1 P42261 1/20 0.31
CACNG8 Q8WXS5 1/20 0.31
HTR1A P08908 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
SCHEMBL28993527 0.81 CREBBP (0.37) CREBBPHTR7CA12CA9MCL1
SCHEMBL28898718 0.80 NPC1 (0.40) PPARGPPARA
SCHEMBL28898721 0.80 PTPRC (0.43) HTR7
SCHEMBL30865661 0.80 HTR7 (0.41) CREBBPHTR7CA12CA9MCL1
SCHEMBL366603 0.80 GABRA1 (0.37) CA12CA9CA1CA2LMNA
SCHEMBL28898728 0.79 MEN1 (0.39) HTR7CA9CA1CA2PPARG
SCHEMBL28898725 0.77 ABL1 (0.45) C1R
SCHEMBL28898712 0.76 CREBBP (0.40) CREBBPHTR7CA12CA9MCL1
SCHEMBL28888574 0.74 SLC6A2 (0.32) LMNA
SCHEMBL28926436 0.74 LMNA (0.44) TRPA1LMNADHFR

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-115385957-A Linear terphenyl aryl phosphine ligand and transition metal complex thereof 东莞市均成高新材料有限公司 2022-11-25 CN disclosed