SCHEMBL22014876

SCHEMBL22014876

CC(=O)Cc1c(C(C)C)cc(OC(F)F)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.35
ACACB O00763 2/20 0.35
SOAT2 O75908 1/20 0.33
MYC P01106 1/20 0.33
SOAT1 P35610 1/20 0.33
MAP2K3 P46734 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.33
GFER P55789 1/20 0.33
ADAM17 P78536 1/20 0.33
LMNA P02545 1/20 0.32
NLRP3 Q96P20 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32

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
SCHEMBL20698978 0.87 ATM (0.41) ATMSOAT2MYCSOAT1MAP2K3
SCHEMBL25139071 0.86 L3MBTL1 (0.35) POLBATMACACBSOAT2MYC
SCHEMBL25139003 0.82 GABRA1 (0.32) POLBATMSOAT2MYCSOAT1
SCHEMBL25067030 0.80 LMNA (0.33) POLBATMACACBALDH1A1MEN1
SCHEMBL20681103 0.78 ATM (0.37) POLBATMMAPTTSHRTHRA
SCHEMBL30791047 0.78 ATM (0.37) POLBATMMAPTTSHRTHRA
SCHEMBL22014897 0.78 NLRP3 (0.41) POLBSOAT2MYCSOAT1MAP2K3
SCHEMBL19621872 0.77 CA1 (0.46) POLBSOAT2MYCSOAT1MAP2K3
SCHEMBL25138899 0.77 L3MBTL1 (0.34) ATMKCNJ5KCNJ3KDM4E
SCHEMBL25139063 0.76 SOAT2 (0.33) SOAT2MYCSOAT1MAP2K3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658538-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-04-19 EP disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed