SCHEMBL11380656

SCHEMBL11380656

CN1CCc2cc(O)c(OC(=O)/C=C/C(=O)Oc3c(O)cc4c(c3Sc3ccc(C(F)(F)F)cc3)CCN(C)CC4)c(Sc3ccc(C(F)(F)F)cc3)c2CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NOTUM Q6P988 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ DRD2 P14416 1/20 0.31
▸ DRD1 P21728 1/20 0.31
▸ DRD4 P21917 1/20 0.31
▸ DRD5 P21918 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ PDE2A O00408 2/20 0.31
▸ PTGDR Q13258 2/20 0.31
▸ PTPN2 P17706 1/20 0.31
▸ TBXA2R P21731 1/20 0.31
▸ EPHX2 P34913 1/20 0.31

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
Fumaric Acid SCHEMBL11157468 0.82 SMN1; SMN2 (0.39) KDM4EALDH1A1MAPTSMN1; SMN2NOTUM
Fumaric Acid SCHEMBL11380659 0.82 SMN1; SMN2 (0.39) KDM4EALDH1A1MAPTSMN1; SMN2NOTUM
SCHEMBL11155830 0.81 KDM4E (0.38) KDM4EALDH1A1MAPTSMN1; SMN2NOTUM
SCHEMBL11160737 0.71 DRD1 (0.43) KDM4EMAPTSMN1; SMN2DRD2DRD1
SCHEMBL11168152 0.70 GPR52 (0.41) KDM4EALDH1A1MGLLDRD2DRD1
SCHEMBL11162257 0.68 PTPN2 (0.38) DRD2DRD1DRD4DRD5PTPN2
SCHEMBL11171087 0.68 TDP1 (0.35) SMN1; SMN2NOTUMKMT2ADRD2DRD1
SCHEMBL11215258 0.68 DRD2 (0.42) DRD2DRD1DRD4DRD5
SCHEMBL11168905 0.67 PRNP (0.39) KDM4EALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL11216603 0.66 DRD1 (0.43) KMT2ADRD2DRD1DRD4DRD5

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
US-4265890-A ANTIPSYCHOTIC, ANTIEMETICS SMITHKLINE CORPORATION (US) 1981-05-05 — — US disclosed
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