SCHEMBL28726665

SCHEMBL28726665

CCOP(=O)(Cc1ccc2c(c1)cc(C(=O)O)n2C(=O)OCc1ccccc1)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.43
▸ KDM1A O60341 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ RCOR1 Q9UKL0 1/20 0.41
▸ SRD5A1 P18405 1/20 0.39
▸ LTB4R Q15722 1/20 0.38
▸ LTB4R2 Q9NPC1 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ PLA2G4A P47712 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CCR2 P41597 2/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL12042743 0.93 KDM1A (0.41) SRD5A2KDM1AMAOARCOR1SRD5A1
SCHEMBL22468607 0.85 CCR2 (0.37) SRD5A2KDM4EMAPTGPR35NPY5R
SCHEMBL28726664 0.84 SRD5A2 (0.37) SRD5A2SRD5A1LTB4RLTB4R2KDM4E
SCHEMBL25308409 0.83 NR1H2 (0.39) NR1H2
SCHEMBL28726661 0.82 SRD5A2 (0.41) SRD5A2KDM1AMAOARCOR1SRD5A1
SCHEMBL12042736 0.79 KDM4E (0.51) SRD5A2SRD5A1KDM4ELMNAGAA
SCHEMBL3831363 0.77 KDM1A (0.56) SRD5A2KDM1AMAOARCOR1SRD5A1
SCHEMBL3639124 0.76 SRD5A2 (0.69) SRD5A2SRD5A1LTB4RLTB4R2KDM4E
SCHEMBL22468625 0.76 NOD2 (0.40) KDM4EMAPTALDH1A1NOD2NOD1
SCHEMBL31250412 0.76 NOD2 (0.40) KDM4EMAPTALDH1A1NOD2NOD1

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
CN-114269763-A Small molecule degradant for STAT3 美国密歇根州立大学试剂中心 2022-04-01 — — CN disclosed
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