SCHEMBL9475267

SCHEMBL9475267

Cc1cccc(C(=O)O)c1NC(=O)COc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.56
POLB P06746 4/20 0.56
LMNA P02545 1/20 0.56
TSHR P16473 2/20 0.56
MAPK10 P53779 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPK1 P28482 1/20 0.56
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GAA P10253 1/20 0.51

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
SCHEMBL9473353 0.88 NOTUM (0.66) POLBLMNATSHRALDH1A1NPC1
SCHEMBL9563666 0.84 LMNA (0.57) POLBLMNAMAPK1NPC1MAPT
SCHEMBL5140151 0.81 POLB (0.59) POLBLMNAALDH1A1HSD17B10MAPK1
SCHEMBL9958891 0.79 POLB (0.60) POLBLMNAALDH1A1HSD17B10MAPK1
SCHEMBL9474574 0.78 POLB (0.59) POLBLMNAALDH1A1HSD17B10MAPK1
SCHEMBL22406054 0.78 POLB (0.59) POLBLMNAALDH1A1HSD17B10MAPK1
SCHEMBL6032429 0.78 HCAR2 (0.81) HCAR2POLBTSHRMAPK10ALDH1A1
SCHEMBL8943790 0.77 HCAR2 (0.79) HCAR2POLBTSHRMAPK10ALDH1A1
SCHEMBL25195550 0.76 POLB (0.54) POLBLMNAALDH1A1MAPTKDM4E
SCHEMBL9474708 0.76 POLB (0.57) POLBLMNAALDH1A1MAPTKDM4E

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
US-5217961-A High carcinostatic activity; inhibiting KB-cell growth MECT CORPORATION (JP) 1993-06-08 US disclosed