SCHEMBL14970728

SCHEMBL14970728

CCc1ccc(OC)cc1OCCN1CCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
PTPN1 P18031 2/20 0.52
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTR2C P28335 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 1/20 0.49

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
Hydrochloric Acid SCHEMBL14966567 0.99 LTA4H (0.52) LTA4HPTPN1KDM4EPOLBMAPT
SCHEMBL14970724 0.89 LTA4H (0.53) LTA4HKDM4EPOLBMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL14966770 0.88 LTA4H (0.52) LTA4HKDM4EPOLBMAPTSMN1; SMN2
SCHEMBL14970726 0.82 TSHR (0.54) LTA4HKDM4ESMN1; SMN2HTR2CTSHR
Hydrochloric Acid SCHEMBL14966454 0.81 TSHR (0.52) LTA4HKDM4ESMN1; SMN2HTR2CTSHR
SCHEMBL12120425 0.81 CYP1A2 (0.54) LTA4HKDM4ESMN1; SMN2TSHRKMT2A
SCHEMBL1578671 0.80 LTA4H (0.56) LTA4HPTPN1POLBMAPTSMN1; SMN2
SCHEMBL14970678 0.79 MEN1 (0.73) KDM4ESMN1; SMN2TSHRKMT2AALDH1A1
SCHEMBL14970672 0.79 MEN1 (0.73) KDM4ESMN1; SMN2TSHRKMT2AALDH1A1
SCHEMBL21473641 0.78 DRD3 (0.54) LTA4HKDM4EKMT2AALDH1A1MEN1

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
WO-2013074965-A1 AMINOALKYL PHENOL ETHER INHIBITORS OF INFLUENZA A VIRUS MICROBIOTIX, INC. (US) 2013-05-23 WO disclosed