SCHEMBL6536554

SCHEMBL6536554

C=C(CC12CC3CC(CC(C3)C1)C2)C(=O)OC(=O)C(=C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
BPTF Q12830 1/20 0.40
HSD11B1 P28845 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
EPHX2 P34913 2/20 0.35
P2RX7 Q99572 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 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
SCHEMBL7125897 0.78 ALDH1A1 (0.53) ALDH1A1BPTFSMN1; SMN2EPHX2P2RX7
SCHEMBL28056616 0.76 ALDH1A1 (0.46) ALDH1A1BPTFHSD11B1SMN1; SMN2P2RX7
SCHEMBL14973422 0.74 SMN1; SMN2 (0.45) ALDH1A1BPTFHSD11B1SMN1; SMN2EPHX2
SCHEMBL3828262 0.73 ALDH1A1 (0.44) ALDH1A1BPTFHSD11B1SMN1; SMN2EPHX2
SCHEMBL10405903 0.71
SCHEMBL679915 0.71 NPSR1 (0.40) ALDH1A1EPHX2NPSR1LMNAGAA
SCHEMBL704030 0.70 ALDH1A1 (0.50) ALDH1A1BPTFHSD11B1SMN1; SMN2EPHX2
SCHEMBL25933146 0.70 ALDH1A1 (0.55) ALDH1A1BPTFHSD11B1SMN1; SMN2EPHX2
SCHEMBL38655452 0.69 ALDH1A1 (0.50) ALDH1A1BPTFHSD11B1SMN1; SMN2P2RX7
SCHEMBL134689 0.66 ALDH1A1 (0.50) ALDH1A1BPTFHSD11B1SMN1; SMN2EPHX2

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-6790580-B2 ETCHING RESISTANCE FUJITSU LIMITED (JP) 2004-09-14 US disclosed
US-20030143483-A1 Resist material and method for forming a resist pattern with the resist material FUJITSU LIMITED (JP) 2003-07-31 US disclosed