SCHEMBL6701787

SCHEMBL6701787

O=C(Cl)CCSC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 3/20 0.39
GBA1 P04062 3/20 0.38
POLB P06746 3/20 0.37
NPC1 O15118 2/20 0.37
MDM2 Q00987 1/20 0.37
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
MAPK1 P28482 2/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 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
SCHEMBL25225286 0.89
SCHEMBL6704692 0.81 ALDH1A1 (0.46) ALDH1A1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL11436132 0.78 TSHR (0.46) ALDH1A1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL20173448 0.78 ALDH1A1 (0.44) ALDH1A1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL3699223 0.76 ALDH1A1 (0.41) ALDH1A1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL8895107 0.75 ALDH1A1 (0.47) ALDH1A1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL776553 0.74 GBA1 (0.44) ALDH1A1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL11466905 0.72 CES2 (0.38) ALDH1A1TSHR
SCHEMBL7686193 0.72 ALDH1A1 (0.40) ALDH1A1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL1808486 0.71 TSHR (0.42) ALDH1A1RAB9ASMN1; SMN2GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
CN-1478075-A Chemical process and new intermediates ��ŵ�Ѻϳ�ʵ���� 2004-02-25 CN disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed
US-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed
CN-1276790-A Carboxamidothiazole derivs., preparation, pharmaceutical composition contg. them SANOFI SA (FR) 2000-12-13 CN disclosed