SCHEMBL8307791

SCHEMBL8307791

CCOC1CCOc2c(SC)cc(C(=O)O)c(SC)c21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NTSR1 P30989 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL8400560 0.88 TSHR (0.32) TSHRMEN1KMT2A
SCHEMBL8307812 0.81 TAAR1 (0.40) TSHRKMT2ANTSR1ATM
SCHEMBL6721501 0.80 MEN1 (0.34) TSHRMEN1KMT2A
SCHEMBL7980027 0.77 TSHR (0.35) TSHR
SCHEMBL6723904 0.73 KDM4E (0.32)
SCHEMBL8072013 0.71 ALDH1A1 (0.37) TSHRMEN1KMT2A
SCHEMBL8134513 0.70 KDM4E (0.33) TSHR
SCHEMBL8870971 0.69
SCHEMBL8122612 0.67 MEN1 (0.33) MEN1KMT2A
SCHEMBL6721449 0.66 ADORA3 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629623-B1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN CO (JP) 1999-05-19 EP disclosed
US-5587484-A HALOGENATION; OXIDATION; SULFONATION; HERBICIDES IDEMITSU KOSAN CO., LTD. (JP) 1996-12-24 US disclosed
US-5480858-A HERBICIDES; LOW DOSAGE; CORN, BARLEY, WHEAT IDEMITSU KOSAN CO., LTD. (JP) 1996-01-02 US disclosed
US-5468722-A Herbicides for corn, wheat, barley IDEMITSU KOSAN CO., LTD. (JP) 1995-11-21 US disclosed
EP-0629623-A1 PYRAZOLE DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-12-21 EP disclosed