SCHEMBL697437

SCHEMBL697437

Oc1ccc(C2(c3ccc(O)cc3-c3ccccc3)CCCCC2)c(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
ESR2 Q92731 12/20 0.43
ESR1 P03372 11/20 0.43
PGR P06401 2/20 0.43
PELI1 Q96FA3 1/20 0.40
BACE1 P56817 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MPI P34949 1/20 0.39
KMT2A Q03164 1/20 0.39
PDK2 Q15119 1/20 0.38

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
SCHEMBL726409 0.81 ESR1 (0.42) ESR2ESR1PGRMEN1ALDH1A1
SCHEMBL726368 0.79 ESR1 (0.43) ESR2ESR1PGRMEN1ALDH1A1
SCHEMBL11131649 0.77 ESR2 (0.41) ESR2ESR1PGRMEN1KMT2A
SCHEMBL28596627 0.77 ESR2 (0.47) ESR2ESR1PGRKDM4EMEN1
SCHEMBL10112737 0.76 PTPN1 (0.44) BACE1KDM4EALDH1A1MAPTHPGD
SCHEMBL3446444 0.74 PDK2 (0.53) ALOX5ESR2ESR1PELI1BACE1
SCHEMBL297165 0.72 ACHE (0.50) ALOX5ESR2ESR1PGRBACE1
SCHEMBL9563069 0.72 ESR2 (0.59) ALOX5ESR2ESR1PELI1BACE1
SCHEMBL2163898 0.72 ESR2 (0.49) ESR2ESR1PGRMAPT
SCHEMBL9106121 0.72 ESR2 (0.49) ESR2ESR1PGRMAPT

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-20120052412-A1 POLYARYLENE BLOCK COPOLYMER HAVING SULFONIC ACID GROUP AND USE THEREOF HONDA MOTOR CO., LTD. (JP) 2012-03-01 US disclosed
EP-2424018-A1 Polyarylene block copolymer having sulfonic acid group and use thereof JSR Corporation (JP) 2012-02-29 EP disclosed