SCHEMBL30157628

SCHEMBL30157628

CC(C)(C)c1ccc(CN2C(=O)CCC2CC(=O)NC2CCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.44
▸ EPHX1 P07099 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ TSHR P16473 1/20 0.41
▸ PTGER3 P43115 1/20 0.41
▸ PTGER2 P43116 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ CXCR3 P49682 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SRC P12931 1/20 0.39

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
SCHEMBL30157617 0.87 KMT2A (0.39) EPHX2EPHX1KMT2AMEN1PTGER3
SCHEMBL30157687 0.87 KMT2A (0.39) EPHX2EPHX1KMT2AMEN1PTGER3
SCHEMBL30157737 0.84 EPHX2 (0.56) EPHX2EPHX1KMT2AMEN1
SCHEMBL30157712 0.83 KMT2A (0.57) KMT2ANPC1
SCHEMBL30157807 0.83 TSHR (0.47) KMT2AMEN1TSHRPOLBRAB9A
SCHEMBL30158670 0.83 PTGER2 (0.49) KMT2AMEN1PTGER3PTGER2POLB
SCHEMBL30157530 0.81 ALDH1A1 (0.51) KMT2AMEN1TSHRHDAC1HDAC2
SCHEMBL30157519 0.80 CNR2 (0.45) KMT2AMEN1TSHRPTGER3PTGER2
SCHEMBL30158819 0.80 KMT2A (0.43) EPHX2EPHX1KMT2AMEN1TSHR
SCHEMBL30157949 0.79 CNR2 (0.44) KMT2AMEN1TSHRPTGER3PTGER2

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
Send feedback