SCHEMBL7692367

SCHEMBL7692367

C=CCOC(=O)C(C)(C)/N=N/C(C)(C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL1705783 1.00 TSHR (0.39) TSHRTDP1SMN1; SMN2CYP3A4PKM
SCHEMBL7218448 0.93 TSHR (0.39) TSHRTDP1SMN1; SMN2CYP3A4MAPT
SCHEMBL9282144 0.93 TSHR (0.39) TSHRTDP1SMN1; SMN2CYP3A4MAPT
SCHEMBL11359855 0.80 TSHR (0.33) TSHRTDP1
SCHEMBL11725731 0.77 MGAM (0.39) TSHRCYP3A4PKM
SCHEMBL3937564 0.77 MGAM (0.39) TSHRCYP3A4PKM
SCHEMBL452542 0.77 TSHR (0.39) TSHRTDP1SMN1; SMN2CYP3A4PKM
Bicarbonate SCHEMBL28099196 0.75 TSHR (0.40) TSHRTDP1SMN1; SMN2CYP3A4PKM
SCHEMBL194466 0.74 TSHR (0.42) TSHRTDP1SMN1; SMN2CYP3A4PKM
SCHEMBL7866089 0.74 TSHR (0.42) TSHRTDP1SMN1; SMN2CYP3A4PKM

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
US-6500548-B2 POWDER COATING DEGUSSA AG (DE) 2002-12-31 US disclosed
US-6491986-B2 PROTECTIVE COATINGS DEGUSSA AG (DE) 2002-12-10 US disclosed
US-6306967-B1 POLYURETHANE WITH OXAZOLINE AND ISOCYANURATE GROUPS Degussa-Hüls Aktiengesellschaft (DE) 2001-10-23 US disclosed
US-20010024696-A1 Transparent or pigmented powder coating materials with crosslinkers comprising hydroxyalkylamides and polyisocyanates containing uretdione groups DEGUSSA-HULS AKTIENGESELLSCHAFT (DE) 2001-09-27 US disclosed
US-20010021748-A1 Transparent or pigmented powder coating materials with crosslinkers comprising hydroxyalkylamides and blocked nonaromatic polyisocyanates DEGUSSA-HUELS AKTIENGESELLSCHAFT (DE) 2001-09-13 US disclosed