SCHEMBL8371102

SCHEMBL8371102

COc1cc(OC)c(C)c(OC(C)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFSF11 O14788 1/20 0.52
BACE1 P56817 1/20 0.50
CYP3A4 P08684 3/20 0.49
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44

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
SCHEMBL3292047 0.84 KDM4E (0.53) TNFSF11BACE1CYP3A4MAPK1SMN1; SMN2
SCHEMBL862161 0.81 ALDH1A1 (0.56) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL25404611 0.81 POLB (0.58) TNFSF11BACE1CYP3A4POLBTSHR
SCHEMBL3326825 0.80 TUBB4A (0.63) TNFSF11BACE1CYP3A4USP2MAPK1
SCHEMBL16521510 0.79 ALOX5 (0.48) TNFSF11BACE1CYP3A4USP2MAPK1
SCHEMBL13021618 0.77 ELANE (0.50) TNFSF11BACE1MAPK1SMN1; SMN2POLB
SCHEMBL3328971 0.77 TSHR (0.64) TNFSF11BACE1TSHRKMT2ATUBB4A
SCHEMBL3327344 0.77 CA12 (0.63) TNFSF11BACE1TSHRKMT2ATUBB4A
SCHEMBL28919121 0.75 KMT2A (0.55) TNFSF11BACE1CYP3A4USP2MAPK1
SCHEMBL919577 0.74 ALDH1A1 (0.55) TNFSF11BACE1CYP3A4USP2MAPK1

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
EP-0892067-A1 FLUORESCENT ENZYME SUBSTRATES AND METHOD FOR ASSAYING ENZYMATIC ACTIVITY Laboratory of Molecular Biophotonics (JP) 1999-01-20 EP disclosed