SCHEMBL27533435

SCHEMBL27533435

O=C(O)/C=C/C(=O)OC1C2CC3CC(C2)CC1C3

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.57
HSD11B1 P28845 5/20 0.43
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
EPHX1 P07099 1/20 0.41
HCAR2 Q8TDS4 5/20 0.39
EPHX2 P34913 1/20 0.38
TSHR P16473 3/20 0.35
TP53 P04637 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
FKBP1A P62942 1/20 0.32

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
SCHEMBL14112065 1.00 ATM (0.57) ATMHSD11B1THRBCYP2C9EPHX1
SCHEMBL7536673 0.92 HSD11B1 (0.48) ATMHSD11B1THRBCYP2C9EPHX1
SCHEMBL1337904 0.81 HSD11B1 (0.43) ATMHSD11B1CYP2C9EPHX1EPHX2
SCHEMBL27869297 0.81 HSD11B1 (0.43) ATMHSD11B1CYP2C9EPHX1EPHX2
SCHEMBL7538699 0.80 HCAR2 (0.48) ATMHSD11B1CYP2C9EPHX1HCAR2
SCHEMBL27985247 0.78 HSD11B1 (0.47) ATMHSD11B1CYP2C9EPHX1EPHX2
SCHEMBL4953819 0.78 HCAR2 (0.46) ATMHSD11B1THRBCYP2C9EPHX1
SCHEMBL9101852 0.77 HSD11B1 (0.40) ATMHSD11B1CYP2C9EPHX1EPHX2
SCHEMBL333419 0.76 HSD11B1 (0.46) ATMHSD11B1CYP2C9EPHX1EPHX2
Adamantane SCHEMBL2307508 0.76 THRB (0.61) ATMHSD11B1THRBCYP2C9HCAR2

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
CN-1255505-A Fumarate diester resin compsns. and its cross-linked diester fumarate resin NIPPON OILS & FATS CO LTD (JP) 2000-06-07 CN disclosed