SCHEMBL23870844

SCHEMBL23870844

CC(I)C(=O)OCCOCCN(CCOCCOC(=O)C(C)I)CCOCCOC(=O)C(I)CCC(I)C(=O)OCCOC(=O)CN(CCOCCOC(=O)C(C)I)CC(=O)OCCOC(=O)C(C)I

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL26784393 0.84 HSD17B10 (0.44) BLMPMP22HSD17B10CA1CA2
SCHEMBL24142624 0.79 KDM4E (0.40) BLMPMP22HSD17B10CA1CA2
SCHEMBL26784394 0.79 CA1 (0.35) CA1CA2
SCHEMBL23867004 0.74 CYP2D6 (0.40) BLMPMP22HSD17B10
SCHEMBL25142186 0.69 CYP2D6 (0.37)
SCHEMBL19064497 0.69 BLM (0.73) BLMPMP22HSD17B10CA1CA2
SCHEMBL23870936 0.69 ALDH1A1 (0.33) HSD17B10
SCHEMBL3137072 0.68 TSHR (0.33)
SCHEMBL23870871 0.68 CHRNB2 (0.38) KDM4E
SCHEMBL23870696 0.67 CYP1A2 (0.36)

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-20210302837-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-09-30 US disclosed