SCHEMBL10429787

SCHEMBL10429787

O=C(O)C(O)(S)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.55
FDPS P14324 1/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 2/20 0.48
CES1 P23141 2/20 0.43
CES2 O00748 1/20 0.43
AKR1B1 P15121 1/20 0.43
CPA3 P15088 1/20 0.42
FOLH1 Q04609 1/20 0.42
MMP8 P22894 1/20 0.42
ARG1 P05089 1/20 0.40
ARG2 P78540 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
KEAP1 Q14145 1/20 0.40
SLC6A2 P23975 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL28952912 0.80 SMN1; SMN2 (0.57) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL10419786 0.80 SMN1; SMN2 (0.57) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL3805248 0.77 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL15189769 0.77 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL244942 0.77 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL852208 0.77 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL419615 0.77 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL3342965 0.77 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
SCHEMBL27091215 0.77 SMN1; SMN2 (0.64) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19
Lithium SCHEMBL8632590 0.76 SMN1; SMN2 (0.57) SMN1; SMN2HIF1AFDPSCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4577615-A1 POLYMERIZABLE LIQUID CRYSTAL MATERIAL AND POLYMERIZED LIQUID CRYSTAL FILM Merck Patent GmbH (DE) 2025-07-02 EP disclosed
WO-2024042008-A1 POLYMERIZABLE LIQUID CRYSTAL MATERIAL AND POLYMERIZED LIQUID CRYSTAL FILM MERCK PATENT GMBH (DE) 2024-02-29 WO disclosed
EP-0356688-A2 3, 9-diphosphaspiroundecanes and process for making 3, 9-diphosphaspiroundecanes GE SPECIALTY CHEMICALS, INC. (US) 1990-03-07 EP disclosed