SCHEMBL31587948

SCHEMBL31587948

CC(C)(C)OC(=O)CCc1cc(O[Si](C)(C)C(C)(C)C)ccc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.45
MTNR1B P49286 3/20 0.45
PTGER1 P34995 4/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
CYP2C9 P11712 1/20 0.42
FFAR4 Q5NUL3 1/20 0.40
CYP1A2 P05177 1/20 0.39
LTA4H P09960 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CCR5 P51681 1/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL20742381 0.84 MTNR1B (0.42) MTNR1AMTNR1BPTGER1CYP2C9CYP1A2
SCHEMBL20742383 0.84 MTNR1B (0.42) MTNR1AMTNR1BPTGER1CYP2C9CYP1A2
SCHEMBL31588132 0.84 MTNR1B (0.42) MTNR1AMTNR1BPTGER1CYP2C9CYP1A2
SCHEMBL9889103 0.81 PTGER1 (0.50) MTNR1AMTNR1BPTGER1PTGER4PTGER3
SCHEMBL20742626 0.81 MTNR1A (0.41) MTNR1AMTNR1BPTGER1CYP2C9CYP1A2
SCHEMBL20742625 0.81 MTNR1A (0.41) MTNR1AMTNR1BPTGER1CYP2C9CYP1A2
SCHEMBL29372330 0.80 CA12 (0.39) MTNR1AMTNR1BCYP2C9CYP1A2ALDH1A1
SCHEMBL9889129 0.80 PTGER1 (0.49) MTNR1AMTNR1BPTGER1PTGER4PTGER3
SCHEMBL31587683 0.79 CA12 (0.39) MTNR1AMTNR1BPOLB
SCHEMBL3916435 0.79 LTA4H (0.39) LTA4H

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-2025106634-A1 MCL-1 INHIBITOR COMPOUNDS AND USE IN ANTIBODY DRUG CONJUGATES GENENTECH, INC. (US) 2025-05-22 WO disclosed