SCHEMBL30157538

SCHEMBL30157538

O=C(CC1CCC(=O)N1Cc1cccc(C(F)(F)F)c1)NCCNC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 2/20 0.48
▸ SIGMAR1 Q99720 2/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ PTGER4 P35408 1/20 0.42
▸ PTGER3 P43115 1/20 0.42
▸ PTGER2 P43116 1/20 0.42
▸ TACR1 P25103 2/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ MMP1 P03956 1/20 0.41
▸ MMP12 P39900 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL30157885 0.82 P2RX7 (0.60) P2RX7SIGMAR1PTGER4PTGER3PTGER2
SCHEMBL30157458 0.80 P2RX7 (0.52) P2RX7SIGMAR1HDAC1HDAC2KMT2A
SCHEMBL30157636 0.79 P2RX7 (0.56) P2RX7HDAC1HDAC2KMT2ANPC1
SCHEMBL30157822 0.79 P2RX7 (0.52) P2RX7KMT2AMEN1
SCHEMBL30158065 0.77 SIGMAR1 (0.53) P2RX7SIGMAR1PTGER4PTGER3PTGER2
SCHEMBL289453 0.76 P2RX7 (0.60) P2RX7SIGMAR1PTGER4PTGER3PTGER2
SCHEMBL1611778 0.76 P2RX7 (0.60) P2RX7SIGMAR1PTGER4PTGER3PTGER2
SCHEMBL30157596 0.76 P2RX7 (0.48) P2RX7PTGER4PTGER3PTGER2KMT2A
SCHEMBL30157559 0.74 EPHX2 (0.54) P2RX7HDAC1HDAC2
SCHEMBL30157277 0.72 KMT2A (0.48) P2RX7TACR1KMT2A

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-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 — — WO disclosed
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