SCHEMBL31416487

SCHEMBL31416487

CC(C)(C)COB(O)c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.41
ESR1 P03372 9/20 0.41
SHBG P04278 1/20 0.38
ESR2 Q92731 8/20 0.35
CYP3A4 P08684 4/20 0.35
LMNA P02545 2/20 0.35
TYR P14679 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
AR P10275 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR6 P50406 1/20 0.35
ESRRG P62508 1/20 0.35
SLC6A3 Q01959 1/20 0.35
MIF P14174 2/20 0.32
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL31416563 0.83 ORAI1 (0.43) LMNAHPGDALDH1A1KDM4E
SCHEMBL20338457 0.81 CA1 (0.52) ENPP2LMNAHSD17B10MAPK1ALDH1A1
SCHEMBL31416532 0.80 HTT (0.35) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Ethylene Glycol SCHEMBL28300855 0.80 CA2 (0.41) CA2
SCHEMBL6940800 0.80 LPL (0.33) TSHRALDH1A1CA1CA2
SCHEMBL20338444 0.79 NUDT1 (0.35) CYP3A4LMNAHSD17B10ALDH1A1
SCHEMBL22536178 0.78 ENPP2 (0.46) ENPP2ESR1ESR2CYP3A4LMNA
SCHEMBL31416620 0.77
SCHEMBL31416541 0.75 SMN1; SMN2 (0.45) CYP3A4LMNAHPGDHSD17B10TSHR
SCHEMBL24220348 0.74 KMT2A (0.33) KMT2A

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