SCHEMBL9397974

SCHEMBL9397974

NC1CCC(C(=O)O)(C(=O)O)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.35
GRM3 Q14832 3/20 0.35
GRM4 Q14833 2/20 0.35
GRM8 O00222 2/20 0.35
GRM6 O15303 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35
GRM5 P41594 1/20 0.35
MTOR P42345 1/20 0.35
GRM1 Q13255 1/20 0.35
PLCB1 Q9NQ66 1/20 0.35
TSHR P16473 1/20 0.35
NSD2 O96028 1/20 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
SCHEMBL211075 0.88 GRM2 (0.32) GRM2GRM3GRM4GRM8GRM6
SCHEMBL27846113 0.81 GRM4 (0.35) GRM2GRM3GRM4GRM8GRM6
Cyclopentanamine SCHEMBL10816030 0.80 GRM2 (0.31) GRM2GRM3GRM4GRM8GRM6
Cyclohexylamine SCHEMBL10816957 0.78 MMP8 (0.33) CYP2C19
SCHEMBL4650803 0.78 CYP2D6 (0.35) GRM2GRM3GRM4GRM8GRM6
SCHEMBL5007908 0.77 GRM4 (0.54) GRM2GRM3GRM4GRM8GRM6
SCHEMBL5007910 0.77 GRM4 (0.54) GRM2GRM3GRM4GRM8GRM6
SCHEMBL3580225 0.77 GRM2 (0.34) GRM2GRM3GRM4GRM8GRM6
SCHEMBL5007909 0.77 GRM4 (0.54) GRM2GRM3GRM4GRM8GRM6
SCHEMBL7978037 0.77 BTK (0.30) GRM2GRM3GRM4GRM8GRM6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102712640-A Tricyclic heterocyclic compounds, compositions and methods of use thereof HOFFMANN LA ROCHE 2012-10-03 CN disclosed
US-5276184-A Curing agents for epoxy resins for thermosetting resins THE DOW CHEMICAL COMPANY (US) 1994-01-04 US disclosed
EP-0376959-B1 PLATINUM PHARMACEUTICALS GEORGETOWN UNIVERSITY (US) 1993-03-24 EP disclosed
EP-0462980-A4 PLATINUM PHARMACEUTICAL AGENTS 1992-03-11 EP disclosed
EP-0462980-A1 PLATINUM PHARMACEUTICAL AGENTS GEORGETOWN UNIVERSITY (US) 1992-01-02 EP disclosed
EP-0376959-A4 PLATINUM PHARMACEUTICALS 1990-11-22 EP disclosed
US-4946954-A ANTICARCINOGENIC AGENTS GEORGETOWN UNIVERSITY (US) 1990-08-07 US disclosed
WO-1990008157-A1 PLATINUM PHARMACEUTICAL AGENTS GEORGETOWN UNIVERSITY (US) 1990-07-26 WO disclosed
EP-0376959-A1 PLATINUM PHARMACEUTICALS. UNIV GEORGETOWN (US) 1990-07-11 EP disclosed
US-4895935-A ANTITUMOR GEORGETOWN UNIVERSITY (US) 1990-01-23 US disclosed
US-4895936-A Water soluble anticancer agents GEORGETOWN UNIVERSITY (US) 1990-01-23 US disclosed
WO-1989000574-A1 PLATINUM PHARMACEUTICALS GEORGETOWN UNIVERSITY (US) 1989-01-26 WO disclosed