SCHEMBL30157534

SCHEMBL30157534

NC(=O)CC1CCC(=O)N1Cc1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GYS1 P13807 1/20 0.40
▸ P2RX7 Q99572 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ SIGMAR1 Q99720 2/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37

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
SCHEMBL30158699 0.89 ALDH1A1 (0.50) ALDH1A1TSHRL3MBTL1KDM4ERAB9A
SCHEMBL30158611 0.89 ALDH1A1 (0.50) ALDH1A1TSHRL3MBTL1KDM4ERAB9A
SCHEMBL30157815 0.84 KMT2A (0.44) ALDH1A1TSHRL3MBTL1KDM4ERAB9A
SCHEMBL30157854 0.84 KMT2A (0.47) ALDH1A1RAB9AP2RX7SIGMAR1KMT2A
SCHEMBL30157408 0.83 SIGMAR1 (0.51) ALDH1A1TSHRL3MBTL1GYS1P2RX7
SCHEMBL30157646 0.81 PTGER3 (0.43) ALDH1A1TSHRKDM4ERAB9AGYS1
SCHEMBL30157940 0.81 KMT2A (0.55) ALDH1A1KDM4EGAAKMT2AHTT
SCHEMBL30157704 0.80 KDM4E (0.42) ALDH1A1TSHRL3MBTL1KDM4ERAB9A
SCHEMBL30157866 0.79 PTGER3 (0.41) ALDH1A1TSHRL3MBTL1GYS1P2RX7
SCHEMBL30141482 0.77 HCRTR1 (0.43) ALDH1A1KDM4ERAB9AP2RX7HTT

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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