SCHEMBL7435907

SCHEMBL7435907

NC(=O)C(c1ccc(Cl)cc1)N1CCC(NCC(O)C2COc3ccccc3O2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
LTA4H P09960 9/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36

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
SCHEMBL7495730 0.93 CA2 (0.36) KDM4EMAPTLMNANPSR1ALDH1A1
SCHEMBL7439458 0.93 MAPT (0.40) KDM4ELTA4HSMN1; SMN2TSHRMAPT
SCHEMBL7440244 0.92 ADRB2 (0.38) KDM4ELTA4HSMN1; SMN2TSHRMAPT
SCHEMBL7434347 0.91 MAPT (0.37) LTA4HSMN1; SMN2MAPTMAPK1LMNA
SCHEMBL7443120 0.91 LMNA (0.41) KDM4ELTA4HSMN1; SMN2NPC1TSHR
SCHEMBL7428130 0.91 MAPT (0.37) KDM4ELTA4HSMN1; SMN2NPC1RAB9A
SCHEMBL7446573 0.91 AIMP2 (0.38) KDM4ELTA4HSMN1; SMN2NPC1MAPT
SCHEMBL7432813 0.89 CA1 (0.42) LTA4HSMN1; SMN2TSHRMAPTMAPK1
SCHEMBL7430176 0.89 TEAD1 (0.44) LTA4HSMN1; SMN2MAPTMAPK1LMNA
SCHEMBL7431674 0.89 LMNA (0.42) KDM4ESMN1; SMN2NPC1RAB9AMAPT

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
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US claimed
US-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed