SCHEMBL28290781

SCHEMBL28290781

CC1CCC(C)(C)C1(N)N

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL5086285 0.84
SCHEMBL2066341 0.73
SCHEMBL26129376 0.71 LMNA (0.36) ALDH1A1
SCHEMBL4383618 0.69
SCHEMBL11183974 0.67 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL29083031 0.67 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL12225458 0.67 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL910593 0.65
Hydrochloric Acid SCHEMBL28137709 0.65 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL16271026 0.65

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-105705501-B ROR gamma modulators 百时美施贵宝公司 2019-04-19 CN disclosed