SCHEMBL28065773

SCHEMBL28065773

O=C(C(Cc1cc(F)cc(F)c1)c1ccccc1O)C(Cc1cc(F)cc(F)c1)c1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
EEF2K O00418 1/20 0.34
HPGD P15428 3/20 0.33
SLC1A1 P43005 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
ALOX12 P18054 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL27882553 0.88 SLC1A1 (0.47) TSHRCNR2HPGDSLC1A1MEN1
SCHEMBL28188510 0.83 LMNA (0.37) HTTLMNASMN1; SMN2
SCHEMBL28837422 0.79 GRIA2 (0.43) TSHR
SCHEMBL28116427 0.79 ESR1 (0.49) TSHRPOLB
SCHEMBL27882494 0.78 TSHR (0.42) TSHRGABRA1GABRB2HPGDPPARG
SCHEMBL28065774 0.77 TSHR (0.35) TSHRGABRA1GABRB2CNR1CNR2
Methylene Chloride SCHEMBL28857230 0.73 SLC1A1 (0.44) CNR1SLC1A1PPARGPPARAMPO
SCHEMBL28187869 0.72 ADRA1A (0.47) TSHRMEN1NPC1HTTKMT2A
SCHEMBL27893495 0.71 TSHR (0.48) TSHRGABRA1GABRB2HPGDNPC1
SCHEMBL27882530 0.70 ALDH1A1 (0.40) HPGDMEN1MAPTHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801550-A Novel benzopyran kinase modulators 理森制药股份公司 2016-07-27 CN claimed
CN-105801550-B Novel chromene kinase modulator 理森制药股份公司 2019-06-14 CN disclosed
CN-105801550-A Novel benzopyran kinase modulators 理森制药股份公司 2016-07-27 CN disclosed
CN-102812013-B Novel benzopyran kinase modulators RHIZEN PHARMACEUTICALS S.A. (CH) 2016-05-25 CN disclosed