SCHEMBL29009176

SCHEMBL29009176

O=C(Oc1ccc(OC(=O)c2ccc(F)cc2)cc1)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.61
ATM Q13315 1/20 0.61
MEN1 O00255 3/20 0.59
HSD17B10 Q99714 1/20 0.57
PARP10 Q53GL7 1/20 0.55
F2 P00734 3/20 0.53
PRSS1 P07477 3/20 0.53
PRSS2 P07478 3/20 0.53
PRSS3 P35030 3/20 0.53
MAPT P10636 3/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
ALDH1A1 P00352 1/20 0.50
HGFAC Q04756 1/20 0.49
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA1 P00915 1/20 0.48

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
SCHEMBL2838573 1.00 KMT2A (0.61) KMT2AATMMEN1HSD17B10PARP10
SCHEMBL11311551 0.92 KMT2A (0.54) KMT2AATMMEN1HSD17B10PARP10
SCHEMBL14640391 0.92 KMT2A (0.54) KMT2AATMMEN1HSD17B10PARP10
SCHEMBL532901 0.92 KMT2A (0.54) KMT2AATMMEN1HSD17B10PARP10
SCHEMBL14145708 0.92 KMT2A (0.54) KMT2AATMMEN1HSD17B10PARP10
SCHEMBL533392 0.90 PRSS1 (0.59) KMT2AATMMEN1PRSS1MAPT
SCHEMBL16604317 0.90 PRSS1 (0.59) KMT2AATMMEN1PRSS1MAPT
SCHEMBL346690 0.90 LMNA (0.64) KMT2AATMMEN1PRSS1MAPT
SCHEMBL532894 0.90 NPC1 (0.57) KMT2AATMMEN1HSD17B10PARP10
SCHEMBL533375 0.90 NPC1 (0.57) KMT2AATMMEN1HSD17B10PARP10

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
CN-115974687-A Preparation method of hydroquinone ester derivative with tyrosinase inhibitory activity 西南林业大学 2023-04-18 CN disclosed