SCHEMBL11544372

SCHEMBL11544372

CCOC(=O)c1ccc[nH]c1=O.Oc1ccc(Cc2ccc(F)cc2)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
CCR6 P51684 1/20 0.43
KMT2A Q03164 1/20 0.43
HKDC1 Q2TB90 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
PDE3B Q13370 4/20 0.42
PDE3A Q14432 4/20 0.42
CDC25B P30305 1/20 0.42
GABRA1 P14867 1/20 0.40

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
SCHEMBL11542451 0.81 CDC25B (0.50) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11541620 0.81 KDM4E (0.47) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11537057 0.81 KDM4E (0.44) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11545855 0.78 CDC25B (0.47) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL930113 0.75 TSHR (0.61) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4428342 0.74 TSHR (0.59) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18796715 0.69 PDE3B (0.78) ALOX5KDM4EALDH1A1NPC1RAB9A
SCHEMBL18796629 0.68 PDE3B (0.85) ALOX5KDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL23484418 0.68 TSHR (0.61) ALOX5KDM4EALDH1A1NPC1RAB9A
SCHEMBL16881326 0.68 PDE3B (0.45) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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-4169893-A ANTIALLERGENS SANDOZ, INC. (US) 1979-10-02 US disclosed