SCHEMBL9208916

SCHEMBL9208916

O=P(c1ccccc1)(c1ccccc1)C1CCCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 1.00
GAA P10253 2/20 1.00
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.38
ALOX12 P18054 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
KCNA5 P22460 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL28706461 0.95 SMN1; SMN2 (0.90) SMN1; SMN2GAAHPGDALDH1A1GLA
SCHEMBL10823089 0.70 GAA (0.53) SMN1; SMN2GAAALDH1A1ALOX12L3MBTL1
SCHEMBL28318624 0.70 SMN1; SMN2 (0.53) SMN1; SMN2GAAALDH1A1ALOX12L3MBTL1
SCHEMBL10823088 0.70 GAA (0.53) SMN1; SMN2GAAALDH1A1ALOX12L3MBTL1
SCHEMBL13321940 0.70 GAA (0.53) SMN1; SMN2GAAALDH1A1ALOX12L3MBTL1
SCHEMBL10787823 0.70 GAA (0.53) SMN1; SMN2GAAALDH1A1ALOX12L3MBTL1
SCHEMBL10426380 0.69 SMN1; SMN2 (0.52) SMN1; SMN2GAAALDH1A1ALOX12L3MBTL1
SCHEMBL778610 0.68 SMN1; SMN2 (0.52) SMN1; SMN2GAAHPGDALDH1A1ALOX12
SCHEMBL8618530 0.65 ALDH1A1 (0.48) SMN1; SMN2GAAHPGDALDH1A1NPC1
SCHEMBL11301792 0.65

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-0641337-A1 CYCLIC ALKYLIDENE SUBSTITUTED PYRIDINE HERBICIDES ROHM AND HAAS COMPANY (US) 1995-03-08 EP disclosed
WO-1992021674-A1 CYCLIC ALKYLIDENE SUBSTITUTED PYRIDINE HERBICIDES MONSANTO COMPANY (US) 1992-12-10 WO disclosed
US-5156670-A Low soil mobility MONSANTO COMPANY (US) 1992-10-20 US disclosed