SCHEMBL25180643

SCHEMBL25180643

C1CCCCCCCCCCCCCCCCC2CC(CCCCCCCCCCCCCCCC1)C2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.35
HSD11B1 P28845 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
KMT2A Q03164 2/20 0.31
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
EPHX1 P07099 4/20 0.31
EPHX2 P34913 2/20 0.31
NPC1 O15118 1/20 0.31
HIF1A Q16665 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
SCHEMBL893642 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10HSD11B1CES2CES1
SCHEMBL20530193 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10HSD11B1CES2CES1
SCHEMBL893389 1.00
SCHEMBL893315 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10HSD11B1CES2CES1
SCHEMBL893482 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10HSD11B1CES2CES1
SCHEMBL893118 0.95
SCHEMBL893232 0.91 ALDH1A1 (0.36) ALDH1A1HSD17B10HSD11B1CES2CES1
SCHEMBL29217487 0.91 ALDH1A1 (0.36) ALDH1A1HSD17B10HSD11B1CES2CES1
SCHEMBL893375 0.87 ALDH1A1 (0.33) ALDH1A1HSD17B10HSD11B1CES2CES1
SCHEMBL3957944 0.87 ALDH1A1 (0.33) ALDH1A1HSD17B10HSD11B1CES2CES1

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
WO-2023085293-A1 COMPOSITION FOR FORMING ACRYLAMIDE GROUP-CONTAINING RESIST UNDERLAYER FILM 日産化学株式会社 2023-05-19 WO disclosed