SCHEMBL10112737

SCHEMBL10112737

COc1ccc(C2(c3ccc(OC)cc3-c3ccccc3)CCCCC2)c(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
PIN1 Q13526 1/20 0.42
BACE1 P56817 3/20 0.42
PDE7A Q13946 1/20 0.42
NPY5R Q15761 2/20 0.41
PDK2 Q15119 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
EHMT2 Q96KQ7 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ACHE P22303 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL10175310 0.90 S1PR1 (0.38) PTPN1PIN1BACE1PDE7ANPY5R
SCHEMBL697437 0.76 ALOX5 (0.47) BACE1PDK2KDM4EALDH1A1HPGD
SCHEMBL14490512 0.74 METAP1 (0.49) PDE7AKDM4EEHMT2ALDH1A1HPGD
SCHEMBL5551697 0.73 PTPN1 (0.57) PTPN1PIN1BACE1KDM4ESMN1; SMN2
SCHEMBL12325013 0.73 PTPN1 (0.57) PTPN1PIN1BACE1KDM4ESMN1; SMN2
SCHEMBL29402037 0.73 PTPN1 (0.57) PTPN1PIN1BACE1KDM4ESMN1; SMN2
Hydrogen Sulfide SCHEMBL27936907 0.71 PTPN1 (0.56) PTPN1PIN1BACE1KDM4ESMN1; SMN2
SCHEMBL28347827 0.70 PIN1 (0.49) PTPN1PIN1BACE1KDM4ESMN1; SMN2
SCHEMBL1257256 0.70 OPRM1 (0.59) BACE1ALDH1A1L3MBTL1
SCHEMBL24404034 0.70 MEN1 (0.41) PDE7APDK2EHMT2KMT2ANPC1

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
US-20120052412-A1 POLYARYLENE BLOCK COPOLYMER HAVING SULFONIC ACID GROUP AND USE THEREOF HONDA MOTOR CO., LTD. (JP) 2012-03-01 US disclosed