SCHEMBL7435972

SCHEMBL7435972

CCOC(=O)C(C(=O)c1ccc(Br)cc1C)C1c2ccccc2Oc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.42
HTR2C P28335 5/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.41
CHRM2 P08172 2/20 0.38
CYP2D6 P10635 2/20 0.38
CHRM1 P11229 2/20 0.38
KCNH2 Q12809 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.37
NPC1 O15118 2/20 0.37
BCL2 P10415 1/20 0.37

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
SCHEMBL7435872 0.89 POLB (0.44) HTR2AHTR2CKMT2AMEN1CYP1A2
SCHEMBL28430986 0.81 POLB (0.53) KMT2AMEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL28431266 0.79 SMN1; SMN2 (0.47) KMT2AMEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL5552878 0.77 POLB (0.50) KMT2AMEN1CYP1A2CYP3A4TP53
SCHEMBL7435421 0.76 POLB (0.40) KMT2AMEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL7430490 0.75 POLB (0.41) KMT2AMEN1CYP1A2CYP3A4ALDH1A1
SCHEMBL7431390 0.71 HTR2A (0.38) HTR2AHTR2CKMT2AMEN1TP53
SCHEMBL9545140 0.71 POLB (0.51) KMT2AMEN1CYP1A2CYP3A4POLB
Hydrochloric Acid SCHEMBL9241189 0.70 POLB (0.50) KMT2AMEN1CYP1A2CYP3A4POLB
SCHEMBL1822087 0.68 LMNA (0.43) KMT2AMEN1CYP1A2ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5891899-A Pharmaceutical xanthene compounds ELI LILLY AND COMPANY LIMITED (GB) 1999-04-06 US disclosed
EP-0849263-A2 Pharmaceutical substituted propanoic acid derivatives ELI LILLY AND COMPANY LIMITED (GB) 1998-06-24 EP disclosed