SCHEMBL31192059

SCHEMBL31192059

CC1(C(=O)O)COc2cccc(F)c2C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
NOTUM Q6P988 2/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
AHR P35869 1/20 0.32
CXCR5 P32302 1/20 0.32
PKM P14618 1/20 0.32
SLC9A1 P19634 1/20 0.31
SLC9A5 Q14940 1/20 0.31
SLC9A2 Q9UBY0 1/20 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
SCHEMBL24440189 0.84 P2RX7 (0.35) NOTUMNPC1RAB9ATP53ALDH1A1
SCHEMBL24440171 0.82 MAPK1 (0.33) MAPK1SLC9A1SLC9A5SLC9A2
SCHEMBL27188251 0.80 PTGS1 (0.37) MAPK1SLC9A1SLC9A5SLC9A2
SCHEMBL1987212 0.75 HSD17B3 (0.36) MAPK1
SCHEMBL17193997 0.67 MAOB (0.37) HCAR3HCAR2ALDH1A1PKM
SCHEMBL24440160 0.65 KMT2A (0.43) NOTUMTP53ALDH1A1CXCR5
SCHEMBL24440185 0.65 LMNA (0.37) NPC1RAB9AALDH1A1MAPK1PKM
SCHEMBL1988784 0.65 MAPK1 (0.44) NOTUMNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL27188582 0.63 ALDH1A1 (0.36) RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL18469486 0.63 CCR8 (0.36) ALDH1A1

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-4703358-A1 BENZO SIX-MEMBERED HETEROCYCLIC GSPT1 PROTEIN DEGRADATION AGENT AND USE THEREOF China Pharmaceutical University (CN) 2026-03-04 EP disclosed
WO-2024222918-A1 BENZO SIX-MEMBERED HETEROCYCLIC GSPT1 PROTEIN DEGRADATION AGENT AND USE THEREOF 中国药科大学 2024-10-31 WO disclosed