SCHEMBL25654792

SCHEMBL25654792

CCS(CC)(CC)CC1=CCCC1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 1/20 0.41
PKM P14618 1/20 0.33
CXCR3 P49682 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL25654790 0.77 ALDH1A1 (0.43) ALDH1A1ALOX15PKMCXCR3
SCHEMBL542981 0.74
SCHEMBL8677978 0.73 ALDH1A1 (0.44) ALDH1A1ALOX15PKMCXCR3
Water SCHEMBL28254213 0.72
SCHEMBL914855 0.70
SCHEMBL8993378 0.69 ALDH1A1 (0.46) ALDH1A1TDP1MEN1KMT2A
Alcohol SCHEMBL10859711 0.68 ALDH1A1 (0.37) ALDH1A1ALOX15PKMCXCR3MEN1
SCHEMBL8994835 0.68
SCHEMBL7690640 0.68 ALDH1A1 (0.45) ALDH1A1ALOX15PKMTDP1
SCHEMBL27533501 0.67 ALDH1A1 (0.46) ALDH1A1ALOX15PKMCXCR3TDP1

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-20230167254-A1 Linear Low Density Polyethylene for Film Applications EXXONMOBIL CHEMICAL PATENTS INC (US) 2023-06-01 US disclosed