SCHEMBL9016550

SCHEMBL9016550

CC1(C)Oc2cc3sc(S)cc(=O)c3cc2O1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL9016727 0.78 TSHR (0.38) TSHR
SCHEMBL9016582 0.76 TSHR (0.36) TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL17171671 0.67 TSHR (0.77) TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL7519328 0.62 TSHR (1.00) TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL7777304 0.62 ALDH1A1 (0.60) TSHR
SCHEMBL7769678 0.62 MAPK1 (0.50) TSHR
SCHEMBL9016576 0.59 ELANE (0.34)
SCHEMBL7126237 0.57 TSHR (0.56) TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL22854018 0.57 TSHR (0.56) TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL21133255 0.57 TSHR (0.72) TSHRCYP1A2CYP2C9CYP2C19

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
EP-0481441-B1 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN SEIYAKU KK (JP) 1996-12-11 EP disclosed
US-5244892-A Pseudomonas KYORIN PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0481441-A2 Novel cephem compounds, their preparation processes and antibacterial agents KYORIN PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed