SCHEMBL6902701

SCHEMBL6902701

C=C(COC12CC3CC(CC(C3)C1)C2)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.35
NPSR1 Q6W5P4 3/20 0.35
HTT P42858 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
THRB P10828 2/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 2/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
KDM4E B2RXH2 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL3369268 0.82 ALDH1A1 (0.40) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL1072125 0.80 ALDH1A1 (0.39) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL1219034 0.78 LMNA (0.41) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL17830226 0.75 ALDH1A1 (0.55) ALDH1A1NPSR1MEN1KMT2ACYP19A1
SCHEMBL22615613 0.75 CYP19A1 (0.44) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL3847068 0.75 NPSR1 (0.36) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL16553934 0.75 MEN1 (0.46) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL6103438 0.71 CYP19A1 (0.39) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL704030 0.71 ALDH1A1 (0.50) ALDH1A1NPSR1MEN1KMT2ACYP2C19
SCHEMBL195951 0.70 GLA (0.34) ALDH1A1NPSR1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6710150-B2 SOLUBILITY IN ALKALINE AQUEOUS SOLUTION IN THE PRESENCE OF A PROTON; FOR USE IN PHOTOLITHOGRAPHY NIPPON SHOKUBAI CO., LTD. (JP) 2004-03-23 US disclosed
US-20020099147-A1 Solubility in alkaline aqueous solution in the presence of a proton; for use in photolithography NIPPON SHOKUBAI CO., LTD 2002-07-25 US disclosed