SCHEMBL29625868

SCHEMBL29625868

CCOc1ccc2c(sc3c(F)c(C(=O)O)ccc32)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.38
FABP4 P15090 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CAMKK1 Q8N5S9 1/20 0.37
CAMKK2 Q96RR4 1/20 0.37
KMT2A Q03164 2/20 0.36
WDR5 P61964 1/20 0.36
GLA P06280 1/20 0.36
DHODH Q02127 1/20 0.35
MRGPRX4 Q96LA9 2/20 0.35
CREBBP Q92793 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL29625882 1.00 HSD17B10 (0.40) HSD17B10TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL24540159 0.89 CYP3A4 (0.43) TSHRLMNAL3MBTL1KDM4ETDP1
SCHEMBL29625863 0.88 RARA (0.42)
SCHEMBL29625881 0.88 ACACB (0.35) HSD17B10TSHRL3MBTL1ALDH1A1HPGD
SCHEMBL29625883 0.88 ACACB (0.35) HSD17B10TSHRL3MBTL1ALDH1A1HPGD
SCHEMBL24540207 0.86 KDM4E (0.33) HSD17B10TSHRLMNAL3MBTL1ALDH1A1
SCHEMBL17189716 0.85 KDM4E (0.42) HSD17B10LMNAL3MBTL1ALDH1A1HPGD
SCHEMBL704976 0.83 TSHR (0.50) HSD17B10TSHRLMNAL3MBTL1KDM4E
SCHEMBL17189737 0.80 ALDH1A1 (0.38) HSD17B10L3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL17181394 0.80 ALDH1A1 (0.36) HSD17B10TSHRL3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263749-A1 DIBENZOFURAN AND DIBENZOTHIOPHENE DERIVATIVES Merck Patent GmbH (DE) 2023-10-25 EP disclosed
CN-116670255-A Dibenzofuran and dibenzothiophene derivatives 默克专利股份有限公司 2023-08-29 CN disclosed
WO-2022128847-A1 DIBENZOFURAN AND DIBENZOTHIOPHENE DERIVATIVES MERCK PATENT GMBH (DE) 2022-06-23 WO disclosed