SCHEMBL29592170

SCHEMBL29592170

COc1cccc(C(C(=O)c2ccc(OCCN3CCCC3)cc2)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.57
DRD3 P35462 4/20 0.56
DRD2 P14416 4/20 0.56
KCNA5 P22460 1/20 0.56
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 2/20 0.54
MITF O75030 2/20 0.54
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 1/20 0.54
HIF1A Q16665 1/20 0.54
MAPT P10636 2/20 0.53
RAB9A P51151 1/20 0.53
NLRP1 Q9C000 1/20 0.53
PSMB1 P20618 2/20 0.52
PSMB5 P28074 2/20 0.52
PSMB2 P49721 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HRH3 Q9Y5N1 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL10828033 0.78 LMNA (0.71) LTA4HALDH1A1KDM4EMITFLMNA
SCHEMBL16781980 0.78 TDP1 (0.62) SMN1; SMN2KMT2AMAPTRAB9APOLB
SCHEMBL22773309 0.78 LMNA (0.69) LTA4HALDH1A1KDM4EMITFLMNA
SCHEMBL20490380 0.78 KDM4E (0.58) LTA4HALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL7520394 0.77 DRD3 (0.59) LTA4HDRD3DRD2KCNA5ALDH1A1
SCHEMBL8642492 0.77 LTA4H (0.65) LTA4HALDH1A1KDM4EMITFLMNA
SCHEMBL5725767 0.76 LTA4H (0.67) LTA4HDRD3DRD2KCNA5ALDH1A1
SCHEMBL16807282 0.75 TDP1 (0.50) ALDH1A1SMN1; SMN2KMT2AMAPTRAB9A
SCHEMBL7582021 0.75 ESR1 (0.79) PSMB1PSMB5PSMB2ESR1ESR2
Anisole SCHEMBL28200949 0.74 LTA4H (0.71) LTA4HDRD3DRD2KCNA5KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237514-A1 ELECTRIC FURNACE TO PRODUCE OLEFINS Lummus Technology LLC (US) 2023-09-06 EP disclosed
WO-2022094455-A1 ELECTRIC FURNACE TO PRODUCE OLEFINS LUMMUS TECHNOLOGY LLC (US) 2022-05-05 WO disclosed