SCHEMBL28653248

SCHEMBL28653248

O=C(O)CCCCSCc1ccco1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
ALDH1A1 P00352 13/20 0.52
POLB P06746 6/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 6/20 0.49
HPGD P15428 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
USP2 O75604 2/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47

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
SCHEMBL1641498 0.89 TSHR (0.56) TSHRALDH1A1POLBKMT2AMAPT
SCHEMBL28635197 0.79 ALDH1A1 (0.57) ALDH1A1POLBKMT2AMAPTHPGD
SCHEMBL9705770 0.78 MAPT (0.52) ALDH1A1POLBKMT2AMAPTHPGD
SCHEMBL124123 0.78 TSHR (0.59) TSHRALDH1A1POLBKMT2AMAPT
SCHEMBL7589801 0.78 ALDH1A1 (0.54) TSHRALDH1A1POLBKMT2AMAPT
SCHEMBL11912385 0.77 MAPT (0.55) ALDH1A1POLBMAPTHPGDSMN1; SMN2
SCHEMBL8091454 0.77 MAPT (0.55) ALDH1A1POLBMAPTHPGDSMN1; SMN2
SCHEMBL8093637 0.77 MAPT (0.55) ALDH1A1POLBMAPTHPGDSMN1; SMN2
SCHEMBL11722021 0.77 MAPT (0.55) ALDH1A1POLBMAPTHPGDSMN1; SMN2
SCHEMBL11460690 0.77 MAPT (0.55) ALDH1A1POLBMAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114007734-A Method for preparing capsules 宝洁公司 2022-02-01 CN disclosed
CN-113660926-A Capsule 宝洁公司 2021-11-16 CN disclosed
CN-113631695-A Capsule 宝洁公司 2021-11-09 CN disclosed