SCHEMBL8304761

SCHEMBL8304761

c1ccc(COCC2(COCc3ccccc3)COC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
TACR1 P25103 3/20 0.46
IDO1 P14902 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AGXT P21549 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
LMNA P02545 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL13929133 0.98 TSHR (0.50) TSHRTACR1IDO1MEN1KMT2A
SCHEMBL19415612 0.90 TSHR (0.45) TSHRTACR1IDO1MEN1KMT2A
SCHEMBL213520 0.90 TSHR (0.45) TSHRTACR1IDO1MEN1KMT2A
SCHEMBL9274987 0.90 TSHR (0.45) TSHRTACR1IDO1MEN1KMT2A
SCHEMBL9280134 0.85 CA2 (0.38) TSHRTACR1MEN1KMT2ANPSR1
SCHEMBL9280724 0.83 CA1 (0.36) TSHRTACR1MEN1KMT2ANPSR1
SCHEMBL13824550 0.82 CHRM3 (0.39) TSHRTACR1MEN1KMT2A
SCHEMBL2221074 0.81 TSHR (0.48) TSHRTACR1IDO1MEN1KMT2A
SCHEMBL5423335 0.81 TSHR (0.48) TSHRTACR1IDO1MEN1KMT2A
SCHEMBL2035091 0.81 IDO1 (0.41) TSHRTACR1IDO1MEN1KMT2A

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
EP-0607374-B1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS PO HANG IRON & STEEL (KR) 1999-04-07 EP disclosed
US-5700817-A Cyclic lipid derivatives as potent PAF antagonists POHANG IRON & STEEL CO., LTD. (KR) 1997-12-23 US disclosed
US-5610310-A Cyclic lipid derivatives as potent PAF antagonists POHANG IRON & STEEL CO., LTD (KR) 1997-03-11 US disclosed
EP-0607374-A1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS POHANG IRON & STEEL CO., LTD. (KR) 1994-07-27 EP disclosed
WO-1994000447-A1 NOVEL CYCLIC LIPID DERIVATIVES AS POTENT PAF ANTAGONISTS POHANG IRON & STEEL CO., LTD. (KR) 1994-01-06 WO disclosed