SCHEMBL8894584

SCHEMBL8894584

[CH2]CCCC(=O)OCCCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.55
ALDH1A1 P00352 2/20 0.55
FFAR1 O14842 2/20 0.53
NPC1 O15118 1/20 0.53
RECQL P46063 1/20 0.53
RAB9A P51151 1/20 0.53
CTDSP1 Q9GZU7 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
APOBEC3A P31941 2/20 0.50
APOBEC3G Q9HC16 2/20 0.50
MAPT P10636 2/20 0.50
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 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
SCHEMBL8880355 0.95 TDP1 (0.62) TDP1LMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL8896110 0.94 TDP1 (0.60) TDP1LMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL8894613 0.94 TDP1 (0.60) TDP1LMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL8894015 0.92 TDP1 (0.66) TDP1LMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL8881701 0.92 TDP1 (0.66) TDP1LMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL13997917 0.90 TDP1 (0.72) TDP1LMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL8896264 0.89 TDP1 (0.58) TDP1LMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL8880920 0.89 TDP1 (0.58) TDP1LMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL8878852 0.89 TDP1 (0.58) TDP1LMNASMN1; SMN2ALDH1A1FFAR1
SCHEMBL8895952 0.89 TDP1 (0.58) TDP1LMNASMN1; SMN2ALDH1A1FFAR1

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-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed