SCHEMBL3207196

SCHEMBL3207196

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
BPTF Q12830 1/20 0.42
P2RX7 Q99572 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
HSD11B1 P28845 1/20 0.37
GLA P06280 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL595457 0.84 ALDH1A1 (0.47) ALDH1A1BPTFP2RX7SMN1; SMN2CYP3A4
SCHEMBL6125488 0.84 ALDH1A1 (0.47) ALDH1A1BPTFP2RX7SMN1; SMN2CYP3A4
SCHEMBL906382 0.81 ALDH1A1 (0.47) ALDH1A1BPTFP2RX7SMN1; SMN2CYP3A4
SCHEMBL596453 0.81 ALDH1A1 (0.52) ALDH1A1BPTFP2RX7SMN1; SMN2CYP3A4
SCHEMBL3215937 0.76 SMN1; SMN2 (0.50) ALDH1A1BPTFP2RX7SMN1; SMN2CYP3A4
SCHEMBL14687892 0.76 ALDH1A1 (0.41) ALDH1A1BPTFP2RX7SMN1; SMN2CYP3A4
Adamantane SCHEMBL11100199 0.75 HSD11B1 (0.34) TSHRHSD11B1
Adamantaneacetic Acid SCHEMBL24688608 0.72 ALDH1A1 (0.62) ALDH1A1BPTFP2RX7SMN1; SMN2CYP3A4
SCHEMBL1074062 0.72 ALDH1A1 (0.57) ALDH1A1BPTFP2RX7SMN1; SMN2CYP3A4
Adamantaneacetic Acid SCHEMBL306081 0.72 ALDH1A1 (0.62) ALDH1A1BPTFP2RX7SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608390-B2 Photoresists; for immersion lithography INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-10-27 US claimed
US-8304178-B2 Top antireflective coating composition containing hydrophobic and acidic groups INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-11-06 US disclosed
US-20100047712-A1 TOP ANTIREFLECTIVE COATING COMPOSITION CONTAINING HYDROPHOBIC AND ACIDIC GROUPS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-02-25 US disclosed
US-7608390-B2 Photoresists; for immersion lithography INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-10-27 US disclosed
US-20080032228-A1 TOP ANTIREFLECTIVE COATING COMPOSITION CONTAINING HYDROPHOBIC AND ACIDIC GROUPS INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2008-02-07 US disclosed