SCHEMBL6560094

SCHEMBL6560094

C=CC(=O)OC12CC3CC(CC(NC(C)=O)(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
EPHX1 P07099 2/20 0.38
DPP8 Q6V1X1 5/20 0.37
DPP9 Q86TI2 5/20 0.37
GLMN Q92990 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
EPHX2 P34913 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5607499 0.84 DPP4 (0.47) TSHREPHX1DPP8DPP9GLMN
SCHEMBL5608347 0.82 RXFP1 (0.42) TSHREPHX1DPP8DPP9GLMN
SCHEMBL822780 0.82 ALDH1A1 (0.36) TSHRDPP8DPP9GLMNALDH1A1
SCHEMBL6560659 0.82 TSHR (0.39) TSHREPHX1DPP8DPP9GLMN
SCHEMBL6560570 0.81 DPP4 (0.37) TSHRDPP4ALDH1A1KMT2ATHRB
SCHEMBL6561662 0.78 GLA (0.34) DPP4ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL12432875 0.78 TSHR (0.40) TSHRALDH1A1KMT2AEPHX2
SCHEMBL4863639 0.78 MEN1 (0.32) ALDH1A1KMT2A
SCHEMBL16708445 0.77 NAAA (0.30) ALDH1A1KMT2A
SCHEMBL6058547 0.77 EPHX1 (0.53) TSHREPHX1RXFP1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915077-B1 POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME DAICEL CHEM (JP) 2004-11-17 EP disclosed
US-6235851-B1 ESTERIFICATION OR AMIDATION REACTION OF AN ADAMANTANE DERIVATIVE; GROUP 3A METAL CATALYST DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915077-A1 POLYMERIZABLE ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME Daicel Chemical Industries, Ltd. (JP) 1999-05-12 EP disclosed