SCHEMBL863233

SCHEMBL863233

COCCOCCOCCOCCOc1ccc(O)cc1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.45
KDM4E B2RXH2 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
KMT2A Q03164 2/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTT P42858 2/20 0.39
ESR1 P03372 3/20 0.38
AVPR2 P30518 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
EGFR P00533 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
SCHEMBL841627 0.86 MAOB (0.41) KDM4ESMN1; SMN2ALDH1A1L3MBTL1KMT2A
SCHEMBL15430848 0.83 HTR1A (0.57) HTR1AKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL3291614 0.81 ESR1 (0.54) ESR1
SCHEMBL1930261 0.80 KMT2A (0.55) KDM4ESMN1; SMN2ALDH1A1L3MBTL1KMT2A
SCHEMBL14747883 0.79 ESR1 (0.49) KDM4EALDH1A1KMT2AHPGDMEN1
SCHEMBL9651856 0.79 IDO1 (0.44) HTR1AKDM4EL3MBTL1KMT2AMEN1
SCHEMBL12587297 0.79 BACE1 (0.43) KMT2AHPGDMEN1MAPTESR1
SCHEMBL14925311 0.79 MAOB (0.44) KDM4EKMT2AMAPTHTTESR1
SCHEMBL9445435 0.79 KDM4E (0.40) HTR1AKDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL12412237 0.77 ESR1 (0.56) KDM4EALDH1A1ESR1

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
US-8143366-B2 Aryl carbamate oligomers for hydrolyzable prodrugs and prodrugs comprising same BIOCON LIMITED (IN) 2012-03-27 US disclosed