SCHEMBL21634259

SCHEMBL21634259

O=C(Cc1ccc(S)cc1)OOC(=O)Cc1ccc(S)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PAM P19021 1/20 0.39
TSHR P16473 2/20 0.38
SENP1 Q9P0U3 1/20 0.37
CA2 P00918 2/20 0.37
CAMK2A Q9UQM7 1/20 0.37
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP19A1 P11511 1/20 0.35
KMT2A Q03164 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
AKR1B1 P15121 1/20 0.34
ABCC4 O15439 1/20 0.34

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
SCHEMBL166999 0.83 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL184705 0.79 CYP4Z1 (0.54) CYP4F2CYP4A11ALDH1A1MAPK1L3MBTL1
SCHEMBL6343515 0.79 L3MBTL1 (0.50) CYP4F2CYP4A11ALDH1A1MAPK1L3MBTL1
SCHEMBL21880654 0.78 MTNR1A (0.46) CYP4F2CYP4A11TSHRPOLBSMN1; SMN2
SCHEMBL6235811 0.78 MAPK1 (0.43) CYP4F2CYP4A11ALDH1A1MAPK1L3MBTL1
SCHEMBL1527709 0.76 CA2 (0.62) ALDH1A1TSHRCA2CAMK2APOLB
SCHEMBL664857 0.76 ALDH1A1 (0.65) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL165930 0.76 CA2 (0.62) ALDH1A1TSHRCA2CAMK2APOLB
Benzene SCHEMBL9407299 0.76 ALDH1A1 (0.65) ALDH1A1MAPK1L3MBTL1PAMTSHR
Methane SCHEMBL7998414 0.74 CA2 (0.60) ALDH1A1TSHRCA2CAMK2APOLB

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
CN-109311910-B Tacrolimus conjugates, compositions thereof, and uses thereof 杜兰教育基金委员会 2022-02-01 CN disclosed
CN-112996545-A Methods for pathogen, microbial and parasitic inactivation 萨塔制药公司 2021-06-18 CN disclosed
EP-3829656-A1 METHOD FOR PATHOGENS, MICROORGANISMS, AND PARASITES INACTIVATION Zata Pharmaceuticals Inc. (US) 2021-06-09 EP disclosed
WO-2020023881-A1 METHOD FOR PATHOGENS, MICROORGANISMS, AND PARASITES INACTIVATION ZATA PHARMACEUTICALS, INC. (US) 2020-01-30 WO disclosed