SCHEMBL30158670

SCHEMBL30158670

CC(C)(C)c1ccc(CN2C(=O)CCC2CC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER2 P43116 3/20 0.49
▸ PTGER3 P43115 2/20 0.49
▸ PTGDR Q13258 3/20 0.45
▸ POLB P06746 2/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ TBXA2R P21731 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ MTR Q99707 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ S1PR4 O95977 1/20 0.39
▸ S1PR1 P21453 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 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
SCHEMBL30158532 0.85 KMT2A (0.56) KMT2AMEN1HTTS1PR1S1PR5
SCHEMBL30158549 0.85 KMT2A (0.44) PTGER2PTGER3KMT2AMEN1HDAC1
SCHEMBL30157519 0.84 CNR2 (0.45) PTGER2PTGER3PTGDRPOLBKMT2A
SCHEMBL31706028 0.84 ITGB1 (0.47) POLBHDAC1HDAC2P2RX7
SCHEMBL30157949 0.83 CNR2 (0.44) PTGER2PTGER3PTGDRPOLBKMT2A
SCHEMBL30157633 0.83 ALDH1A1 (0.43) PTGER2PTGER3PTGDRKMT2AMEN1
SCHEMBL30158586 0.83 HCRTR2 (0.49) POLBKMT2AMEN1HTTP2RX7
SCHEMBL30157628 0.83 EPHX2 (0.44) PTGER2PTGER3POLBKMT2AMEN1
SCHEMBL30157955 0.82 POLB (0.39) PTGER2PTGER3PTGDRPOLBKMT2A
SCHEMBL30157660 0.80 KMT2A (0.49) POLBKMT2AHDAC1HDAC2P2RX7

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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