SCHEMBL6204942

SCHEMBL6204942

CCC(=C(Oc1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.51
ELANE P08246 2/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HIF1A Q16665 1/20 0.51
PTGS2 P35354 1/20 0.48
CYP19A1 P11511 5/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
ESR2 Q92731 2/20 0.43
CYP3A4 P08684 1/20 0.42
PGR P06401 1/20 0.42

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
SCHEMBL1356223 0.84 TSHR (0.48) ESR1KMT2ASMN1; SMN2PTGS2CYP19A1
SCHEMBL16893834 0.80 ELANE (0.45) ELANERECQLSMN1; SMN2
SCHEMBL11449884 0.80 ELANE (0.45) ELANERECQLSMN1; SMN2CYP19A1
SCHEMBL27668892 0.79 PTGS2 (0.49) ESR1ELANERECQLKMT2ASMN1; SMN2
SCHEMBL6204756 0.78 ELANE (0.52) ESR1ELANEKMT2ACES2CES1
SCHEMBL124444 0.76 MAPT (0.48) ELANEKMT2ASMN1; SMN2
SCHEMBL6677692 0.75 TP53 (0.42) ELANERECQLKMT2ASMN1; SMN2CES2
SCHEMBL1145279 0.75 ELANE (0.51) ESR1ELANERECQLKMT2ASMN1; SMN2
SCHEMBL6206060 0.75 TSHR (0.47) ELANEKMT2ASMN1; SMN2CES2CES1
SCHEMBL6204948 0.75 ELANE (0.51) ESR1ELANERECQLKMT2ASMN1; SMN2

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
EP-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 WO disclosed