SCHEMBL30157408

SCHEMBL30157408

O=C(CC1CCC(=O)N1Cc1ccc(F)c(F)c1)NC1CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.51
▸ P2RX7 Q99572 5/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ POLB P06746 2/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ GYS1 P13807 1/20 0.38

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
SCHEMBL30157864 0.85 SIGMAR1 (0.54) SIGMAR1P2RX7KMT2AMCHR1ALDH1A1
SCHEMBL30158699 0.84 ALDH1A1 (0.50) SIGMAR1P2RX7KMT2APOLBGAA
SCHEMBL30158611 0.84 ALDH1A1 (0.50) SIGMAR1P2RX7KMT2APOLBGAA
SCHEMBL30157866 0.84 PTGER3 (0.41) SIGMAR1P2RX7KMT2APOLBGAA
SCHEMBL30157646 0.84 PTGER3 (0.43) SIGMAR1P2RX7KMT2APOLBGAA
SCHEMBL30157534 0.83 ALDH1A1 (0.41) SIGMAR1P2RX7KMT2APOLBGAA
SCHEMBL30157815 0.83 KMT2A (0.44) SIGMAR1P2RX7KMT2APOLBGAA
SCHEMBL30157807 0.82 TSHR (0.47) P2RX7KMT2APOLBGAALMNA
SCHEMBL30157712 0.82 KMT2A (0.57) KMT2AGAAALDH1A1L3MBTL1
SCHEMBL30157407 0.81 BRD4 (0.47) KMT2ALMNA

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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