SCHEMBL9310690

SCHEMBL9310690

C=Cc1cc2ccccc2c(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.55
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.40
MCL1 Q07820 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39
TUBA3E Q6PEY2 1/20 0.39
TUBA1A Q71U36 1/20 0.39

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
SCHEMBL9311196 0.86 ERN1 (0.49) ERN1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL9310444 0.82 ERN1 (0.46) ERN1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL11239147 0.82 ERN1 (0.73) ERN1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL3698426 0.80 POLB (0.46) ERN1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL9310270 0.78 ERN1 (0.41) ERN1ALDH1A1KDM4EHPGDNPSR1
SCHEMBL30949367 0.76 ALDH1A1 (0.67) ERN1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL599396 0.76 ALDH1A1 (0.67) ERN1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL8563051 0.75 ALDH1A1 (0.48) ERN1ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL15496951 0.75 CYP1A2 (0.47) ERN1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL19612580 0.73 ALDH1A1 (0.50) ERN1ALDH1A1KDM4EMAPK1SMN1; 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 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