SCHEMBL8740913

SCHEMBL8740913

Cc1cc(C)c(C(=O)C(F)(F)F)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOTUM Q6P988 1/20 0.34
ACHE P22303 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CES1 P23141 1/20 0.33
MAPK1 P28482 1/20 0.32
TP53 P04637 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL23758516 0.76 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NOTUMKDM4EHPGD
SCHEMBL1044787 0.74 NOTUM (0.41) ALDH1A1NOTUMKDM4EHPGDMEN1
SCHEMBL3728873 0.74 CYP1A2 (0.40) ALDH1A1CYP1A2SMN1; SMN2MEN1KMT2A
SCHEMBL17883332 0.72 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPK1
SCHEMBL6622235 0.71 NOTUM (0.39) ALDH1A1NOTUMKDM4EHPGDMEN1
SCHEMBL15979650 0.71 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL18900601 0.69 GAA (0.38) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL23923776 0.69 ALDH1A1 (0.43) ALDH1A1CYP1A2ACHEKDM4EHPGD
SCHEMBL18900599 0.68 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MAPK1
SCHEMBL257250 0.67 ALDH1A1 (0.62) ALDH1A1NPC1CYP1A2CYP2C19RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114315880-A Near-infrared two-region fluorescence and photoacoustic bimodal imaging reagent based on boron-fluorine complex 南京林业大学 2022-04-12 CN claimed
CN-114315880-B Near infrared two-region fluorescence and photoacoustic bimodal imaging reagent based on fluorine-boron complex 南京林业大学 2023-05-09 CN disclosed
CN-114315880-A Near-infrared two-region fluorescence and photoacoustic bimodal imaging reagent based on boron-fluorine complex 南京林业大学 2022-04-12 CN disclosed
EP-0684950-A4 CHEMICAL COMPOUNDS USEFUL IN PHOTODYNAMIC THERAPY AND PRODUCTION OF LASER LIGHT. BO DEKK VENTURES LTD (US) 1997-10-15 EP disclosed
EP-0684950-A1 CHEMICAL COMPOUNDS USEFUL IN PHOTODYNAMIC THERAPY AND PRODUCTION OF LASER LIGHT BO-DEKK VENTURES, LTD. (US) 1995-12-06 EP disclosed
US-5446157-A Boron difluoride compounds useful in photodynamic therapy and production of laser light BO-DEKK VENTURES, LTD. 1995-08-29 US disclosed
WO-1994019355-A1 CHEMICAL COMPOUNDS USEFUL IN PHOTODYNAMIC THERAPY AND PRODUCTION OF LASER LIGHT BO-DEKK VENTURES, LTD. (US) 1994-09-01 WO disclosed