SCHEMBL8950435

SCHEMBL8950435

CC(=O)C1(C(=O)O)CCC(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
CYP2C19 P33261 3/20 0.44
GRM2 Q14416 2/20 0.44
GRM3 Q14832 2/20 0.44
GRM4 Q14833 2/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 2/20 0.44
ALOX15 P16050 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRM5 P41594 1/20 0.44
MTOR P42345 1/20 0.44
GRM1 Q13255 1/20 0.44
PLCB1 Q9NQ66 1/20 0.44
APLNR P35414 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38

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
SCHEMBL7036505 0.86 GRM2 (0.50) LMNACYP2C19GRM2GRM3GRM4
SCHEMBL11245235 0.82 LMNA (0.40) LMNACYP2C19GRM2GRM3GRM4
SCHEMBL769660 0.78
SCHEMBL19549500 0.77 GRM4 (0.57) LMNACYP2C19GRM2GRM3GRM4
SCHEMBL8173774 0.77 GRM2 (0.42) LMNACYP2C19GRM2GRM3GRM4
SCHEMBL16892291 0.76 APLNR (0.44) LMNACYP2C19GRM2GRM3GRM4
SCHEMBL16892288 0.76 APLNR (0.44) LMNACYP2C19GRM2GRM3GRM4
SCHEMBL16892298 0.76 TSHR (0.41) LMNACYP2C19GRM2GRM3GRM4
SCHEMBL18215826 0.76 TSHR (0.41) LMNACYP2C19GRM2GRM3GRM4
SCHEMBL16892277 0.74 LMNA (0.39) LMNACYP2C19GRM2GRM3GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502073-A INSECTICIDES OR ANTHELMINTICS THE WELLCOME FOUNDATION (GB) 1996-03-26 US disclosed
US-5466710-A Heterobicycloalkanes as pesticidal compounds ROUSSEL UCLAF (FR) 1995-11-14 US disclosed
EP-0294229-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-12-02 EP disclosed
EP-0372816-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-07-29 EP disclosed
US-5116862-A Acetylenic trithiabicyclo(2.2.2)octanes THE WELLCOME FOUNDATION LIMITED (GB) 1992-05-26 US disclosed
WO-1990006304-A1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-14 WO disclosed
EP-0372870-A2 Novel heterocyclic pesticidal compounds ROUSSEL-UCLAF (FR) 1990-06-13 EP disclosed
EP-0372816-A1 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-13 EP disclosed
EP-0300797-A1 Pesticidal compounds ROUSSEL UCLAF (FR) 1989-01-25 EP disclosed
EP-0294229-A2 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-12-07 EP disclosed