SCHEMBL31416623

SCHEMBL31416623

CC(C)(O)C(C)(O)Cc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
ESR1 P03372 1/20 0.40
KDM4E B2RXH2 1/20 0.40
IDO1 P14902 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
RIPK1 Q13546 2/20 0.39
TRPA1 O75762 2/20 0.38
TAAR1 Q96RJ0 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36

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
Boric Acid SCHEMBL31219270 0.94 HPGD (0.38) HPGDESR1KDM4EIDO1LOXL2
SCHEMBL4930066 0.82 ESR1 (0.43) HPGDESR1KDM4EIDO1LOXL2
SCHEMBL31166664 0.80 ESR1 (0.41) ESR1TAAR1LMNA
SCHEMBL30972172 0.80 FDPS (0.48) ESR1LOXL2CYP3A4TAAR1LMNA
SCHEMBL38658794 0.78 ESR1 (0.40) HPGDESR1KDM4ECYP3A4CYP2C9
SCHEMBL21177760 0.78 SLC6A4 (0.57) ESR1IDO1CYP3A4CYP2D6CYP2C9
SCHEMBL28210190 0.78 HPGD (0.41) HPGDESR1KDM4EIDO1LOXL2
SCHEMBL11444579 0.77 SLC6A2 (0.54) CYP3A4CYP2D6CYP2C9CYP2C19TRPA1
SCHEMBL7267750 0.77 CYP3A4 (0.46) HPGDESR1KDM4EIDO1LOXL2
SCHEMBL14446922 0.77 KDM4E (0.46) HPGDESR1KDM4EIDO1LOXL2

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-2025042679-A1 FASTER AUTOMATED ITERATIVE C-C BOND FORMATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2025-02-27 WO disclosed