SCHEMBL8892870

SCHEMBL8892870

O=CNCCCC(CCCO)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.37
CCR3 P51677 2/20 0.37
ADH1B P00325 2/20 0.37
ADH1C P00326 2/20 0.37
ADH1A P07327 2/20 0.37
ADH7 P40394 2/20 0.37
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL7832303 0.94 CCR1 (0.37) CCR1CCR3ADH1BADH1CADH1A
SCHEMBL7823386 0.86 ADH1B (0.38) CCR1CCR3ADH1BADH1CADH1A
SCHEMBL7822809 0.84 CCR3 (0.37) CCR1CCR3ADH1BADH1CADH1A
SCHEMBL8894063 0.84 ADH1B (0.37) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL8893131 0.81 CCR1 (0.35) CCR1CCR3ADH1BADH1CADH1A
SCHEMBL7816549 0.79 CCR3 (0.45) CCR1CCR3HTTLMNASMN1; SMN2
SCHEMBL7817246 0.78 ADH1B (0.37) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL7830626 0.77 L3MBTL1 (0.49) CCR1CCR3KDM4EHTTPOLB
SCHEMBL7827029 0.76 KIF11 (0.47) CCR1CCR3MAPTKDM4EALDH1A1
SCHEMBL8315609 0.76 ADH1B (0.40) CCR1CCR3ADH1BADH1CADH1A

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-1997024325-A1 DIPHENYLMETHANE DERIVATIVES AS MIP-1α/RANTES RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed