SCHEMBL31003243

SCHEMBL31003243

CCc1ccc(C(C)O)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.43
ESR2 Q92731 4/20 0.43
PPARG P37231 1/20 0.40
UGT2B7 P16662 1/20 0.34
OGA O60502 2/20 0.34
SMO Q99835 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SORD Q00796 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
P2RX7 Q99572 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PLG P00747 1/20 0.30
PLAU P00749 1/20 0.30
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL12885846 1.00 ESR1 (0.43) ESR1ESR2PPARGUGT2B7OGA
SCHEMBL2604908 0.83 ESR1 (0.42) ESR1ESR2LMNASMN1; SMN2RXRA
SCHEMBL30697150 0.82 ESR1 (0.50) ESR1ESR2PPARGUGT2B7OGA
SCHEMBL14645814 0.80 ESR1 (0.40) ESR1ESR2
SCHEMBL3266864 0.80 ESR1 (0.43) ESR1ESR2ALDH1A1LMNASMN1; SMN2
SCHEMBL14480080 0.80 ESR1 (0.40) ESR1ESR2
SCHEMBL27966461 0.79 ESR1 (0.40) ESR1ESR2ALDH1A1LMNA
SCHEMBL31003309 0.79 ESR1 (0.44) ESR1ESR2PPARGUGT2B7OGA
SCHEMBL16647732 0.78 MBOAT4 (0.42) ESR1ESR2LMNARXRAGRIN1
SCHEMBL23114333 0.77 ESR1 (0.38) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658656-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES Beone Medicines I GmbH (CH) 2025-12-10 EP disclosed
WO-2024160276-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS INHIBITOR OF DIACYLGLYCEROL KINASES BEIGENE, LTD. (KY) 2024-08-08 WO disclosed