SCHEMBL30158625

SCHEMBL30158625

CC(C)(C)c1ccc(CCNC(=O)CC2CCC(=O)N2Cc2cccc(F)c2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.48
▸ ALDH1A1 P00352 2/20 0.44
▸ ESRRG P62508 5/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ESRRB O95718 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TAAR1 Q96RJ0 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
SCHEMBL30157510 0.90 P2RX7 (0.51) P2RX7ALDH1A1TSHRHTTKMT2A
SCHEMBL30157572 0.90 P2RX7 (0.50) P2RX7ALDH1A1TSHRHTTKDM4E
SCHEMBL30157349 0.89 P2RX7 (0.51) P2RX7ALDH1A1TSHRKDM4EMEN1
SCHEMBL30157682 0.88 ALDH1A1 (0.57) P2RX7ALDH1A1HTT
SCHEMBL30157907 0.88 P2RX7 (0.48) P2RX7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30157911 0.86 HCRTR1 (0.47) P2RX7ALDH1A1
SCHEMBL30157930 0.86 P2RX7 (0.46) P2RX7ALDH1A1MEN1KMT2A
SCHEMBL30157993 0.85 P2RX7 (0.55) P2RX7ALDH1A1KMT2ATAAR1
SCHEMBL30157499 0.85 P2RX7 (0.53) P2RX7ALDH1A1KDM4EMEN1PKM
SCHEMBL30157436 0.85 P2RX7 (0.48) P2RX7ALDH1A1KMT2A

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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