SCHEMBL9739901

SCHEMBL9739901

C(=C1OCCCCO1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
CYP1A2 P05177 2/20 0.41
F3 P13726 1/20 0.41
HTT P42858 1/20 0.39
HPGD P15428 6/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 2/20 0.37
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
MGAM O43451 1/20 0.34

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
SCHEMBL28305385 0.74 ALDH1A1 (0.48) ALDH1A1CYP1A2F3HTTHPGD
SCHEMBL4950825 0.72 ALDH1A1 (0.77) ALDH1A1CYP1A2F3HTTHPGD
SCHEMBL3056491 0.70 ALDH1A1 (0.59) ALDH1A1CYP1A2F3HTTHPGD
SCHEMBL981479 0.70 ALDH1A1 (0.79) ALDH1A1CYP1A2F3HTTHPGD
Methylsulfanylmethane SCHEMBL28306521 0.69 ALDH1A1 (0.43) ALDH1A1CYP1A2F3HTTHPGD
SCHEMBL3069464 0.69 ALDH1A1 (0.47) ALDH1A1CYP1A2F3HTTHPGD
Water SCHEMBL87641 0.68 ALDH1A1 (0.57) ALDH1A1CYP1A2F3HTTHPGD
SCHEMBL3526528 0.64 ALDH1A1 (1.00) ALDH1A1CYP1A2F3HTTMAPT
SCHEMBL4505371 0.64 ITGB2 (0.77) ALDH1A1HTTHPGDMAPTLMNA
Styrene SCHEMBL8912295 0.64 ALDH1A1 (0.64) ALDH1A1CYP1A2F3HTTMAPT

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-5115058-A Bio- and photo-degradable resin composition THE DOW CHEMICAL COMPANY (US) 1992-05-19 US disclosed