SCHEMBL4598331

SCHEMBL4598331

OCC1(CO)CC(Cc2ccccc2)=NO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.42
CALM1 P0DP23 1/20 0.35
TSHR P16473 2/20 0.33
MMP9 P14780 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 3/20 0.32
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
CYP1A2 P05177 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31

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
SCHEMBL4598996 0.88 SORT1 (0.40) SORT1ALDH1A1LMNACYP2D6
SCHEMBL4599329 0.86 SORT1 (0.41) SORT1ALDH1A1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL9384798 0.63 MAOA (0.42) TSHRTDP1ALDH1A1L3MBTL1LMNA
SCHEMBL24517799 0.63 TP53 (0.31) SORT1
SCHEMBL11982348 0.62 SORT1 (0.45) SORT1CALM1TDP1ALDH1A1RAB9A
SCHEMBL19433074 0.62 SORT1 (0.49) SORT1CALM1TSHRTDP1ALDH1A1
SCHEMBL6957893 0.61 TDP1 (0.45) TSHRTDP1ALDH1A1LMNA
Diphenylmethane SCHEMBL10394702 0.61 CALM1 (0.92) CALM1TSHRTDP1ALDH1A1LMNA
SCHEMBL11963994 0.60 SORT1 (1.00) SORT1CALM1TSHRTDP1ALDH1A1
Diphenylmethane SCHEMBL4556684 0.59 CALM1 (0.75) CALM1TSHRTDP1LMNABCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404661-B1 PROCESS FOR THE PRODUCTION OF 5-BENZYL-3-FURFURYL ALCOHOL ENDURA SPA (IT) 2008-04-09 EP claimed
US-7019154-B2 Process for the production of 5-benzyl-3-furfuryl alcohol ENDURA S.P.A. (IT) 2006-03-28 US claimed
US-20040127728-A1 Process for the production of 5-benzyl-3-furfuryl alcohol ENDURA S.P.A. (IT) 2004-07-01 US claimed
CN-1247560-C Process for the production of 5-benzyl-3-furfuryl alcohol ENDURA SPA (IT) 2006-03-29 CN disclosed
US-7019154-B2 Process for the production of 5-benzyl-3-furfuryl alcohol ENDURA S.P.A. (IT) 2006-03-28 US disclosed
US-7019154-B2 Process for the production of 5-benzyl-3-furfuryl alcohol ENDURA S.P.A. (IT) 2006-03-28 US disclosed
US-20040127728-A1 Process for the production of 5-benzyl-3-furfuryl alcohol ENDURA S.P.A. (IT) 2004-07-01 US disclosed
US-20040127728-A1 Process for the production of 5-benzyl-3-furfuryl alcohol ENDURA S.P.A. (IT) 2004-07-01 US disclosed
CN-1507439-A Process for the production of 5-benzyl-3-furfuryl alcohol 2004-06-23 CN disclosed
US-4954633-A INSECTICIDE INTERMEDIATE BASF AKTIENGESELLSCHAFT (DE) 1990-09-04 US disclosed
EP-0187345-B1 SUBSTITUTED FURANES AND THEIR PRECURSORS BASF Aktiengesellschaft (DE) 1988-09-21 EP disclosed
EP-0187345-A1 Substituted furanes and their precursors BASF Aktiengesellschaft (DE) 1986-07-16 EP disclosed