SCHEMBL9309858

SCHEMBL9309858

C=Cc1c(OC)c(C)c(C)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.37
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33
TUBA1B P68363 2/20 0.33
TUBA4A P68366 2/20 0.33
TUBB4B P68371 2/20 0.33
TUBB3 Q13509 2/20 0.33
TUBB2A Q13885 2/20 0.33
TUBB8 Q3ZCM7 2/20 0.33
TUBA3E Q6PEY2 2/20 0.33
TUBA1A Q71U36 2/20 0.33
TUBA1C Q9BQE3 2/20 0.33
TUBB6 Q9BUF5 2/20 0.33
TUBB2B Q9BVA1 2/20 0.33
TUBB1 Q9H4B7 2/20 0.33

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
SCHEMBL9312363 0.89 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2MAPK1POLB
SCHEMBL22788813 0.82 KDM4E (0.38) ALDH1A1KDM4ESMN1; SMN2MAPK1POLB
SCHEMBL7192168 0.80 CYP1A2 (0.36) ALDH1A1KDM4EMAPK1CYP1A2
SCHEMBL20100147 0.79 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2MAPK1POLB
SCHEMBL4646101 0.78 TSHR (0.40) ALDH1A1KDM4ESMN1; SMN2MAPK1CYP1A2
SCHEMBL21012214 0.78 CYP1A2 (0.38) ALDH1A1KDM4EMAPK1CYP1A2
SCHEMBL31488756 0.78 TSHR (0.40) ALDH1A1KDM4ESMN1; SMN2MAPK1CYP1A2
SCHEMBL28814564 0.76 KDM4E (0.64) ALDH1A1KDM4ESMN1; SMN2MAPK1POLB
SCHEMBL9312315 0.75 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2MAPK1POLB
SCHEMBL9311841 0.75 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2MAPK1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5326489-A Sulfonated polymer NIPPON SHOKUBAI CO., LTD. (JP) 1994-07-05 US disclosed
EP-0523300-B1 Electrorheological fluids NIPPON CATALYTIC CHEM IND (JP) 1994-01-19 EP disclosed
EP-0523300-A1 Electrorheological fluids NIPPON SHOKUBAI KAGAKU KOGYO CO. LTD. (JP) 1993-01-20 EP disclosed