SCHEMBL4347803

SCHEMBL4347803

O=C(O)CC(CCc1cccs1)(C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C19 P33261 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
HPGD P15428 1/20 0.40
RIPK1 Q13546 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9716459 0.81 RIPK1 (0.49) POLBTDP1CYP2C19NPC1RAB9A
SCHEMBL4473902 0.77 RIPK1 (0.51) POLBTDP1CYP2C19NPC1RAB9A
SCHEMBL4341638 0.77 RIPK1 (0.48) POLBTDP1CYP2C19NPC1RAB9A
SCHEMBL28997198 0.75 CYP2C19 (0.53) POLBTDP1CYP2C19NPC1RAB9A
Trifluoroacetic Acid SCHEMBL27502765 0.73 TDP1 (0.57) POLBTDP1CYP2C19NPC1RAB9A
SCHEMBL654985 0.73 POLB (0.66) POLBTDP1CYP2C19NPC1RAB9A
Hydrochloric Acid SCHEMBL9699973 0.72 POLB (0.64) POLBTDP1CYP2C19NPC1RAB9A
Citric Acid SCHEMBL27397161 0.72 TAAR1 (0.51) POLBTDP1CYP2C19NPC1RAB9A
SCHEMBL338927 0.70 NPC1 (0.68) POLBTDP1CYP2C19NPC1RAB9A
SCHEMBL2059909 0.70 RIPK1 (0.48) POLBTDP1CYP2C19NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1141335-B1 CHEMICALLY MODIFIED ENZYMES WITH MULTIPLE CHARGED VARIANTS GENENCOR INT (US) 2009-08-05 EP claimed
US-7371553-B2 Chemically modified enzymes with multiple charged variants GENENCOR INTERNATIONAL, INC. (US) 2008-05-13 US claimed
US-20020127695-A1 Chemically modified enzymes with multiple charged variants GENENCOR INTERNATIONAL, INC. 2002-09-12 US claimed
US-6379942-B1 SUBTILISIN ENZYME, WITH CYSTEINE RESIDUES AT GIVE AMINO ACID SEQUENCE POSITIONS, WHERE THE THIOL HYDROGEN IN THE CYSTEINE RESIDUE IS REPLACED, PROVIDING A SIDE CHAIN IWTH A MULTIPLY CHARGED MOIETY; DETERGENTS GENENCOR INTERNATIONAL, INC. 2002-04-30 US claimed
EP-1141335-A2 CHEMICALLY MODIFIED ENZYMES WITH MULTIPLE CHARGED VARIANTS GENENCOR INTERNATIONAL, INC. (US) 2001-10-10 EP claimed
WO-2000037658-A2 CHEMICALLY MODIFIED ENZYMES WITH MULTIPLE CHARGED VARIANTS GENENCOR INTERNATIONAL, INC. (US) 2000-06-29 WO claimed
EP-1141335-B1 CHEMICALLY MODIFIED ENZYMES WITH MULTIPLE CHARGED VARIANTS GENENCOR INT (US) 2009-08-05 EP disclosed
US-7371553-B2 Chemically modified enzymes with multiple charged variants GENENCOR INTERNATIONAL, INC. (US) 2008-05-13 US disclosed
US-20050089966-A1 Chemically modified enzymes with multiple charged variants DAVID BENJAMIN G (GB) 2005-04-28 US disclosed
US-20020127695-A1 Chemically modified enzymes with multiple charged variants GENENCOR INTERNATIONAL, INC. 2002-09-12 US disclosed
US-6379942-B1 SUBTILISIN ENZYME, WITH CYSTEINE RESIDUES AT GIVE AMINO ACID SEQUENCE POSITIONS, WHERE THE THIOL HYDROGEN IN THE CYSTEINE RESIDUE IS REPLACED, PROVIDING A SIDE CHAIN IWTH A MULTIPLY CHARGED MOIETY; DETERGENTS GENENCOR INTERNATIONAL, INC. 2002-04-30 US disclosed
EP-1141335-A2 CHEMICALLY MODIFIED ENZYMES WITH MULTIPLE CHARGED VARIANTS GENENCOR INTERNATIONAL, INC. (US) 2001-10-10 EP disclosed
WO-2000037658-A2 CHEMICALLY MODIFIED ENZYMES WITH MULTIPLE CHARGED VARIANTS GENENCOR INTERNATIONAL, INC. (US) 2000-06-29 WO disclosed