SCHEMBL6287612

SCHEMBL6287612

CCCCNC(=O)NCC(CO)(CO)CO

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.59
POLB P06746 1/20 0.42
ACHE P22303 2/20 0.42
MMP2 P08253 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MMP1 P03956 1/20 0.42

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
SCHEMBL6283759 0.93 EPHX1 (0.55) EPHX1ACHEMMP2MMP1
SCHEMBL6290189 0.83 EPHX1 (0.57) EPHX1POLBACHEMMP2MMP1
SCHEMBL6289551 0.83 EPHX1 (0.57) EPHX1ACHEMMP2MMP1
SCHEMBL6289560 0.83 EPHX1 (0.57) EPHX1ACHEMMP2HTTMMP1
SCHEMBL6289645 0.83 EPHX1 (0.57) EPHX1ACHEMMP2MMP1
SCHEMBL6289685 0.81 EPHX1 (0.55) EPHX1ACHEMMP2TSHRHTT
SCHEMBL320112 0.81 EPHX1 (0.85) EPHX1ACHEMMP2MMP1
SCHEMBL6287138 0.80 EPHX1 (0.53) EPHX1ACHEMMP2HTTMMP1
SCHEMBL6285625 0.80 EPHX1 (0.53) EPHX1POLBACHEMMP2MMP1
SCHEMBL6289587 0.79 CHRM2 (0.35) EPHX1MMP2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed