SCHEMBL9048654

SCHEMBL9048654

O=C(CCl)CC(=O)OCCSc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
RAB9A P51151 6/20 0.46
RECQL P46063 3/20 0.46
HPGD P15428 4/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPT P10636 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL10986628 0.82 MTNR1A (0.56) MTNR1AMTNR1BNPC1SMN1; SMN2RAB9A
SCHEMBL13222645 0.78 FFAR1 (0.57) MTNR1AMTNR1BNPC1SMN1; SMN2RAB9A
SCHEMBL28145857 0.77 ALDH1A1 (0.49) MTNR1AMTNR1BNPC1SMN1; SMN2RAB9A
SCHEMBL8896303 0.77 ALDH1A1 (0.49) MTNR1AMTNR1BNPC1SMN1; SMN2RAB9A
SCHEMBL8896348 0.76 MTNR1A (0.56) MTNR1AMTNR1BNPC1SMN1; SMN2RAB9A
SCHEMBL8342307 0.76 ALDH1A1 (0.52) MTNR1AMTNR1BNPC1SMN1; SMN2RAB9A
SCHEMBL9427645 0.76 ALDH1A1 (0.56) MTNR1AMTNR1BNPC1SMN1; SMN2RAB9A
SCHEMBL7367695 0.75 LMNA (0.57) NPC1SMN1; SMN2RAB9ARECQLALDH1A1
SCHEMBL5412378 0.75 MTNR1A (0.45) MTNR1AMTNR1B
SCHEMBL9427635 0.74 ALDH1A1 (0.54) MTNR1AMTNR1BNPC1SMN1; SMN2RAB9A

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
EP-0115770-B2 Thiazole Derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-06-19 EP disclosed
US-4695639-A Thiazole derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-09-22 US disclosed
EP-0115770-B1 THIAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP disclosed
EP-0115770-A1 Thiazole Derivatives Takeda Chemical Industries, Ltd. (JP) 1984-08-15 EP disclosed