SCHEMBL9816693

SCHEMBL9816693

c1ccc(Oc2cccc(Cc3ccc(Oc4ccc(Cc5cccc(Oc6ccccc6)c5)cc4)cc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.58
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 3/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LTA4H P09960 4/20 0.53
IDH1 O75874 1/20 0.52
FFAR1 O14842 2/20 0.51
FFAR4 Q5NUL3 1/20 0.51
FDFT1 P37268 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 1/20 0.49
MAOB P27338 1/20 0.48
TSHR P16473 1/20 0.48
CALM1 P0DP23 1/20 0.48

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
SCHEMBL23312282 0.94 ALDH1A1 (0.50) SRD5A2KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL8896665 0.94 TSHR (0.55) SRD5A2KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL22550294 0.94 CALM1 (0.55) SRD5A2KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL10269397 0.89 SRD5A2 (0.68) SRD5A2LTA4HIDH1FFAR1TSHR
SCHEMBL11178465 0.89 SRD5A2 (0.51) SRD5A2KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL27630414 0.89 LTA4H (0.57) SRD5A2KDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL246373 0.87 LTA4H (0.67) SRD5A2HTTLTA4HIDH1FFAR1
SCHEMBL23098203 0.87 SRD5A2 (0.70) SRD5A2LTA4HFFAR1TSHRCALM1
SCHEMBL9906839 0.87 SRD5A2 (0.70) SRD5A2LTA4HFFAR1TSHRCALM1
SCHEMBL7178244 0.87 LTA4H (0.67) SRD5A2HTTLTA4HIDH1FFAR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0202838-B1 PROCESS FOR PRODUCTION OF M-PHENOXYBENZYL ALCOHOL MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-09-18 EP disclosed
US-4694110-A Process for production of m-phenoxybenzyl alcohol MITSUI TOATSU CHEMICALS, INC. (JP) 1987-09-15 US disclosed
EP-0202838-A2 Process for production of m-phenoxybenzyl alcohol MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-11-26 EP disclosed