SCHEMBL6289922

SCHEMBL6289922

C=CCOP(Oc1ccccc1)OC1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
VCP P55072 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1726398 0.82 RAB9A (0.38) RAB9ANPC1MAPTVCPALDH1A1
SCHEMBL1726180 0.82 RAB9A (0.38) RAB9ANPC1MAPTVCPALDH1A1
SCHEMBL250539 0.80 CYP3A4 (0.36) RAB9AMAPTALDH1A1
SCHEMBL548672 0.80 CYP3A4 (0.36) RAB9AMAPTALDH1A1
SCHEMBL4451483 0.77 HRH1 (0.37) RAB9AVCPALDH1A1
Carbon Monoxide SCHEMBL11678731 0.76 RAB9A (0.37) RAB9ANPC1VCPALDH1A1
SCHEMBL4462491 0.73 HRH1 (0.39) RAB9AALDH1A1
SCHEMBL25097821 0.70
SCHEMBL2150833 0.69 ALDH1A1 (0.39) RAB9ANPC1MAPTALDH1A1
SCHEMBL466325 0.67 CYP3A4 (0.38) RAB9ANPC1ALDH1A1

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
JP-2005206711-A ACRYLIC ELASTOMER COMPOSITION DENKI KAGAKU KOGYO KK 2005-08-04 JP disclosed