SCHEMBL6561586

SCHEMBL6561586

O=C(O)C1C2CC3CC1C(C(=O)O)C(C2)C3C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
PKM P14618 1/20 0.39
LMNA P02545 4/20 0.35
KDM4E B2RXH2 2/20 0.35
PMP22 Q01453 2/20 0.35
TSHR P16473 2/20 0.35
APEX1 P27695 1/20 0.35
GMNN O75496 1/20 0.35
TFPI2 P48307 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
THPO P40225 1/20 0.35
GRM2 Q14416 5/20 0.34
GRM5 P41594 4/20 0.34
GRM4 Q14833 3/20 0.34
GRM6 O15303 2/20 0.34
GRM1 Q13255 2/20 0.34
GRM3 Q14832 2/20 0.34
CYP2D6 P10635 2/20 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
SCHEMBL14118138 0.84 POLB (0.39) POLBTDP1PKMLMNAKDM4E
SCHEMBL8978055 0.82 POLB (0.57) POLBTDP1LMNAKDM4EPMP22
SCHEMBL29099215 0.82 POLB (0.43) POLBTDP1PKMLMNAKDM4E
SCHEMBL1536316 0.82
SCHEMBL3683146 0.82 POLB (0.43) POLBTDP1LMNAKDM4EPMP22
SCHEMBL27218570 0.78 POLB (0.42) POLBTDP1PKMLMNAKDM4E
SCHEMBL7741675 0.77 POLB (0.38) POLBTDP1PKMLMNAKDM4E
SCHEMBL432536 0.76 POLB (0.57) POLBTDP1LMNAKDM4EPMP22
SCHEMBL24425352 0.74 POLB (0.39) POLBTDP1LMNAKDM4EPMP22
SCHEMBL14653071 0.74 POLB (0.39) POLBTDP1LMNAKDM4EPMP22

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 4 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
JP-2004189697-A METHOD FOR MANUFACTURING POLYCARBOXYADAMANTANE DERIVATIVE DAICEL CHEM IND LTD 2004-07-08 JP 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