SCHEMBL10695848

SCHEMBL10695848

OCCc1ccc(CCCC2(c3ccccc3)CCCO2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
OPRM1 P35372 4/20 0.37
OPRL1 P41146 4/20 0.37
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LTA4H P09960 1/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 4/20 0.32
CHRM3 P20309 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL434816 0.81 HSD11B1 (0.38) OPRM1OPRL1HTTSMN1; SMN2
SCHEMBL891327 0.73 OPRM1 (0.36) OPRM1OPRL1
SCHEMBL9000261 0.70 DPP4 (0.36) ALDH1A1
SCHEMBL434095 0.69 TSHR (0.43) OPRM1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL22563669 0.68 POLB (0.40) MEN1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL10394796 0.68 TDP1 (0.40) TDP1OPRM1OPRL1SIGMAR1MEN1
SCHEMBL14720863 0.66 SLC6A3 (0.51) OPRM1OPRL1SIGMAR1OPRK1CHRM3
SCHEMBL22530353 0.66 DPP4 (0.33) ALDH1A1
SCHEMBL11348505 0.66 TACR1 (0.49) TACR1
SCHEMBL435686 0.65 TSHR (0.48) KMT2AHTTSMN1; SMN2L3MBTL1LMNA

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-4783473-A ANTICOAGULANTS, VASODILATORS, BRONCHODILATORS E. R. SQUIBB & SONS, INC. (US) 1988-11-08 US disclosed