SCHEMBL6783502

SCHEMBL6783502

C=C1CC[C@H]2C(C)(C)CCCC2(C)[C@@H]1C=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.67
PTPN1 P18031 2/20 0.67
PNLIP P16233 3/20 0.52
TRPA1 O75762 2/20 0.51
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
RPS6KA5 O75582 3/20 0.50
MAPKAPK2 P49137 3/20 0.50
CYP19A1 P11511 3/20 0.44
IDO1 P14902 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
TRPM2 O94759 1/20 0.38
PLA2G2A P14555 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL25396294 1.00 PTPN2 (0.67) PTPN2PTPN1PNLIPTRPA1CHRNB2
SCHEMBL25395895 1.00 PTPN2 (0.67) PTPN2PTPN1PNLIPTRPA1CHRNB2
SCHEMBL6783507 1.00 PTPN2 (0.67) PTPN2PTPN1PNLIPTRPA1CHRNB2
SCHEMBL25394431 1.00 PTPN2 (0.67) PTPN2PTPN1PNLIPTRPA1CHRNB2
SCHEMBL25433754 0.86 PTPN2 (0.64) PTPN2PTPN1PNLIPTRPA1CHRNB2
SCHEMBL25434992 0.86 PTPN2 (0.64) PTPN2PTPN1PNLIPTRPA1CHRNB2
SCHEMBL25435120 0.86 PTPN2 (0.64) PTPN2PTPN1PNLIPTRPA1CHRNB2
SCHEMBL25436073 0.86 PTPN2 (0.64) PTPN2PTPN1PNLIPTRPA1CHRNB2
SCHEMBL24422153 0.80 PTPN1 (1.00) PTPN2PTPN1PNLIPTRPA1CHRNB2
SCHEMBL30288170 0.80 PTPN1 (0.81) PTPN2PTPN1PNLIPTRPA1CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6727277-B1 BENZO(A)XANTHENE DERIVATIVES; LYMPHATIC ABSORPTION INTENSIFIERS 3-HYDROXY-3-METHYLGLUTARYL COENZYME A REDUCTASE INHIBITORS KANSAS STATE UNIVERSITY RESEARCH FOUNDATION 2004-04-27 US disclosed