SCHEMBL6722112

SCHEMBL6722112

O=C1C=CC(=O)N1C1CC=CCC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 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
SCHEMBL3414903 0.74 ALDH1A1 (0.46) ALDH1A1HPGD
SCHEMBL209765 0.74 ALDH1A1 (0.46) ALDH1A1HPGD
SCHEMBL9980527 0.73 ALDH1A1 (0.42) ALDH1A1HPGDALOX15
SCHEMBL2173840 0.73 ALDH1A1 (0.42) ALDH1A1HPGDALOX15
Ammonia Solution, Strong SCHEMBL27911562 0.71 ALDH1A1 (0.50) ALDH1A1ALOX15
SCHEMBL10899447 0.70 ALDH1A1 (0.38) ALDH1A1
SCHEMBL209046 0.70 ALDH1A1 (0.48) ALDH1A1ALOX15
SCHEMBL212347 0.70 ALDH1A1 (0.43) ALDH1A1ALOX15
SCHEMBL18209593 0.70 ALDH1A1 (0.48) ALDH1A1ALOX15
SCHEMBL10901620 0.69 MGLL (0.36) ALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116702-A1 Alkoxylated acyl-and bisacylphoshine derivatives BASF AKTIENGESELLSCHAFT (DE) 2004-06-17 US disclosed
WO-2003068783-A1 ALKOXYLATED ACYL- AND BISACYLPHOSPHINE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2003-08-21 WO disclosed