SCHEMBL25974302

SCHEMBL25974302

COCCOc1cc(F)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
TSHR P16473 1/20 0.40
S1PR4 O95977 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
AR P10275 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
KCNH2 Q12809 1/20 0.38
HASPIN Q8TF76 1/20 0.38
SQOR Q9Y6N5 1/20 0.37
LMNA P02545 2/20 0.37
KCNN4 O15554 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL7368747 0.85 MRGPRX4 (0.44) S1PR4TDP1L3MBTL1CYP1A2CYP2D6
SCHEMBL30755347 0.83 FFAR1 (0.47) FFAR1FFAR4TSHRTDP1CYP2D6
SCHEMBL4749281 0.83 FFAR1 (0.47) FFAR1FFAR4TSHRTDP1CYP2D6
SCHEMBL13069271 0.83 FFAR1 (0.47) FFAR1FFAR4TSHRS1PR4TDP1
SCHEMBL20124948 0.81 FFAR1 (0.49) FFAR1FFAR4TSHRTDP1CYP1A2
SCHEMBL20224818 0.81 FFAR1 (0.46) FFAR1FFAR4TSHRS1PR4TDP1
SCHEMBL13475556 0.81 TSHR (0.59) TSHRTDP1L3MBTL1CYP1A2CYP2C19
SCHEMBL1030557 0.80 ALDH1A1 (0.42) TSHRS1PR4TDP1L3MBTL1CYP1A2
SCHEMBL14015 0.80 FFAR1 (0.44) FFAR1FFAR4TSHRTDP1L3MBTL1
SCHEMBL29380731 0.80 ALDH1A1 (0.42) TSHRS1PR4TDP1L3MBTL1CYP1A2

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
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed