SCHEMBL10661968

SCHEMBL10661968

COc1cccc(OC)c1OCCNCCC(=O)N1CCCSc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ADRA1A P35348 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
MEN1 O00255 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
SHMT2 P34897 1/20 0.43

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
SCHEMBL10667312 0.89 POLB (0.51) L3MBTL1TP53MEN1KMT2APOLB
SCHEMBL10662501 0.88 SHMT2 (0.45) TSHRL3MBTL1POLBLMNASHMT2
SCHEMBL10669664 0.87 MAPT (0.54) TSHRL3MBTL1TP53POLB
SCHEMBL10667697 0.86 POLB (0.42) L3MBTL1TP53POLB
SCHEMBL10668567 0.85 POLB (0.47) L3MBTL1TP53POLB
SCHEMBL10662031 0.85 POLB (0.44) L3MBTL1TP53POLB
SCHEMBL10667350 0.83 POLB (0.46) TSHRL3MBTL1TP53POLBLMNA
SCHEMBL10660555 0.82 ALDH1A1 (0.49) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL10667655 0.81 ATM (0.50) L3MBTL1TP53KMT2APOLB
SCHEMBL10662720 0.80 POLB (0.42) TSHRL3MBTL1TP53POLB

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
JP-63162681-A None JP disclosed
US-4780462-A Antihypertensive 1,5-benzothiazepine derivatives and compositions thereof Kotokuki Seiya Kau Co., Ltd. (JP) 1988-10-25 US disclosed
JP-S63162681-A 1,5-BENZOTHIAZEPINE DERIVATIVE, HYPOTENSOR AND PRODUCTION THEREOF KOTOBUKI SEIYAKU KK 1988-07-06 JP disclosed