SCHEMBL28985474

SCHEMBL28985474

CCON(OC(C)CCO)c1ccc(C)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
CA7 P43166 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
SCHEMBL28985475 0.78 MEN1 (0.35) POLBRAB9AMEN1KMT2A
SCHEMBL7047179 0.76 TSHR (0.44) POLBRAB9AMEN1KMT2A
SCHEMBL28985472 0.72 RAB9A (0.36) POLBRAB9AMEN1KMT2A
SCHEMBL80211 0.71 ALDH1A1 (0.39) POLBRAB9A
SCHEMBL2866524 0.67 ALDH1A1 (0.42) POLBRAB9A
SCHEMBL19188889 0.66 ABL1 (0.41) MEN1KMT2A
SCHEMBL2572316 0.65 ALDH1A1 (0.37) POLBRAB9A
SCHEMBL896724 0.65 ALDH1A1 (0.44) MAOAMAOBCA7
SCHEMBL14191853 0.63 TSHR (0.48) POLBRAB9AMEN1KMT2A
SCHEMBL25160105 0.63 ALOX5 (0.43) POLBRAB9AMEN1KMT2A

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
CN-115989215-A Liquid mixtures of propoxylated p-toluidine 赛拓有限责任公司 2023-04-18 CN disclosed