SCHEMBL2857445

SCHEMBL2857445

CC(I)c1ccccc1C(C)I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRB2 P47870 2/20 0.43
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
HIF1A Q16665 2/20 0.39
FAAH O00519 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HPGD P15428 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 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

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
SCHEMBL19286993 0.91 GABRA1 (0.50) GABRA1GABRB2TSHRLMNAGABRG2
SCHEMBL23621891 0.83 ESR1 (0.52) GABRA1GABRB2TSHRCYP3A4CA1
SCHEMBL7331227 0.83 ESR1 (0.52) GABRA1GABRB2TSHRCYP3A4CA1
SCHEMBL24044259 0.83 GABRA1 (0.37) GABRA1GABRB2TSHRLMNAGABRG2
SCHEMBL22416798 0.81 HTT (0.42) GABRA1GABRB2TSHRLMNAGABRG2
SCHEMBL8013826 0.81 GABRA1 (0.36) GABRA1GABRB2TSHRLMNAGABRG2
SCHEMBL7394353 0.81 ACHE (0.40) GABRA1GABRB2HIF1ACYP3A4ALDH1A1
SCHEMBL23395100 0.81 CYP3A4 (0.43) GABRA1GABRB2TSHRLMNAGABRG2
SCHEMBL13270997 0.81 CYP3A4 (0.43) GABRA1GABRB2TSHRLMNAGABRG2
SCHEMBL27337498 0.81 HTT (0.42) GABRA1GABRB2TSHRLMNAGABRG2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
EP-1795581-B1 LUBRICATING OIL COMPOSITION CONTAINING ACRYLIC POLYMER KURARAY CO (JP) 2018-09-19 EP disclosed
US-7718588-B2 Lubricating oil additive containing acrylic polymer and lubricating oil compositions KURARAY CO., LTD. (JP) 2010-05-18 US disclosed
US-20080058234-A1 Lubricating Oil Additive Containing Acrylic Polymer and Lubricating Oil Compositions KURARAY CO., LTD. (JP) 2008-03-06 US disclosed
EP-1795581-A1 LUBRICATING OIL ADDITIVE CONTAINING ACRYLIC POLYMER AND LUBRICATING OIL COMPOSITIONS KURARAY CO., LTD. (JP) 2007-06-13 EP disclosed