Calcium

Calcium

SCHEMBL8504089

CCOC(=O)c1cccc2c1Cc1ccccc1O2.[Ca]

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 1/20 0.46
TRPA1 O75762 2/20 0.43
CDC25B P30305 3/20 0.43
MAPT P10636 4/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 2/20 0.41

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
SCHEMBL899854 0.99 TSHR (0.53) TSHRALDH1A1HSD17B10TRPA1CDC25B
SCHEMBL1175633 0.97 TSHR (0.51) TSHRALDH1A1HSD17B10TRPA1CDC25B
SCHEMBL447793 0.97 TSHR (0.51) TSHRALDH1A1HSD17B10TRPA1CDC25B
SCHEMBL16414281 0.97 TSHR (0.51) TSHRALDH1A1HSD17B10TRPA1CDC25B
Lithium SCHEMBL11047758 0.97 TSHR (0.51) TSHRALDH1A1HSD17B10TRPA1CDC25B
SCHEMBL9244736 0.97 TSHR (0.51) TSHRALDH1A1HSD17B10TRPA1CDC25B
Potassium SCHEMBL41206 0.97 TSHR (0.51) TSHRALDH1A1HSD17B10TRPA1CDC25B
Propionic Acid SCHEMBL263427 0.94 TSHR (0.48) TSHRALDH1A1HSD17B10TRPA1CDC25B
Calcium SCHEMBL11435611 0.90 ALDH1A1 (0.54) TSHRALDH1A1HSD17B10TRPA1KDM4E
SCHEMBL664364 0.88 ALDH1A1 (0.55) TSHRALDH1A1HSD17B10TRPA1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0797543-B1 PROCESS FOR THE TREATMENT OF METAL-CONTAINING WATER AND RECOVERY OF METALS THEREFROM BUCKMAN LABOR INC (US) 1999-07-14 EP claimed
EP-0737086-B1 COMPOSITION AND PROCESS FOR REDUCING OR PREVENTING METAL AND ACID CONTAMINATION IN ROCK DRAINAGE BUCKMAN LABOR INC (US) 1998-07-29 EP claimed
EP-0797543-A1 PROCESS FOR THE TREATMENT OF METAL-CONTAINING WATER AND RECOVERY OF METALS THEREFROM BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1997-10-01 EP claimed
EP-0737086-A1 COMPOSITION AND PROCESS FOR REDUCING OR PREVENTING METAL AND ACID CONTAMINATION IN ROCK DRAINAGE BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1996-10-16 EP claimed
US-5505857-A ADJUSTMENT PH; WATER POLLUTION CONTROL BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1996-04-09 US claimed
WO-1995019320-A1 PROCESS FOR THE TREATMENT OF METAL-CONTAINING WATER AND RECOVERY OF METALS THEREFROM BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1995-07-20 WO claimed
WO-1995017927-A1 COMPOSITION AND PROCESS FOR REDUCING OR PREVENTING METAL AND ACID CONTAMINATION IN ROCK DRAINAGE BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1995-07-06 WO claimed
US-4328192-A Ammoniacal nickel leach of laterites UOP INC. (US) 1982-05-04 US disclosed
US-4229213-A HYDROGEN HALIDE OR SULFUR COMPOUND TREATMENT, REDUCTIVE ROASTING, ANNEALING, EXTRACTION UOP INC. (US) 1980-10-21 US disclosed