SCHEMBL9778731

SCHEMBL9778731

Cc1cccc(SCCOc2ccc(C3SCCS3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ POLB P06746 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ AR P10275 3/20 0.37
▸ DRD2 P14416 2/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL9778709 0.84 MAPT (0.52) MAPTLMNAKDM4EALDH1A1TSHR
SCHEMBL9778765 0.84 ALDH1A1 (0.45) MAPTTDP1LMNAKDM4EALDH1A1
SCHEMBL9778572 0.83 DRD2 (0.49) MAPTTDP1LMNAKDM4EALDH1A1
SCHEMBL9778537 0.78 L3MBTL1 (0.47) MAPTTDP1LMNAKDM4EALDH1A1
SCHEMBL31336657 0.78 POLB (0.54) MAPTPOLBTDP1LMNAALDH1A1
SCHEMBL9778940 0.76 MAPT (0.52) MAPTTDP1LMNAKDM4EALDH1A1
SCHEMBL9778755 0.76 MAOB (0.53) MAPTLMNAKDM4EALDH1A1AR
SCHEMBL9778699 0.76 MAPT (0.60) MAPTLMNAKDM4EALDH1A1DRD2
SCHEMBL9778416 0.75 MAPT (0.48) MAPTPOLBTDP1LMNAKDM4E
SCHEMBL9778647 0.73 ALDH1A1 (0.47) MAPTPOLBLMNAKDM4EALDH1A1

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-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 — — US disclosed
Send feedback