SCHEMBL11329586

SCHEMBL11329586

CCC(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCLC P48506 1/20 0.37
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
FOLH1 Q04609 6/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
GRM3 Q14832 2/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL11329762 0.87 CHRM1 (0.46) GCLCCA2MAPK1FOLH1SLC1A3
SCHEMBL10440190 0.85 FOLH1 (0.47) FOLH1GRM3NAALAD2TDP1
SCHEMBL11343039 0.80 CPT2 (0.35) FOLH1CYP2D6TSHRCYP2C19HIF1A
SCHEMBL11344891 0.80 CYP2D6 (0.31) CYP2D6TSHRCYP2C19HIF1A
SCHEMBL8635672 0.79 CYP1A2 (0.35) CYP2D6TSHRCYP2C19HIF1ACHRM1
SCHEMBL870763 0.76 TSHR (0.39) CYP2D6TSHRCYP2C19HIF1ACHRM1
SCHEMBL11339953 0.76 TSHR (0.33) CYP2D6TSHRCYP2C19HIF1ACHRM1
SCHEMBL22770 0.76 FOLH1 (0.44) FOLH1NAALAD2TSHRTDP1
SCHEMBL5691553 0.75 ALDH1A1 (0.42) CYP2D6TSHRCYP2C19HIF1ACHRM1
SCHEMBL11346356 0.75 TSHR (0.33) FOLH1CYP2D6TSHRCYP2C19HIF1A

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
US-4252857-A Flameproofing substrate BAYER AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed
US-4133872-A Compositions for preparation of aqueous solutions of salts of lower valence 99 technetium HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1979-01-09 US disclosed
US-4086334-A A CALCITONIN AND AN ADJUVANT CONTAINING CARBOXY AND/OR PHOSPHONO GROUPS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DT) 1978-04-25 US disclosed
US-3962433-A Method of treatment of calcium disorders using phosphonoalkane-polycarboxylic acids HENKEL & CIE G.M.B.H. (DT) 1976-06-08 US disclosed