SCHEMBL7964175

SCHEMBL7964175

COCCOCOc1cc(C=CC(=O)O)c(F)c(F)c1OCOCCOC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.38
IKBKB O14920 1/20 0.38
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HTR1A P08908 1/20 0.35
HPGD P15428 1/20 0.35
HTR2C P28335 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RARG P13631 2/20 0.34
F2 P00734 1/20 0.33
ELANE P08246 1/20 0.33
TNFRSF1A P19438 1/20 0.33
RARB P10826 1/20 0.33
PTGER3 P43115 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33

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
SCHEMBL7964173 1.00 RARA (0.38) RARAIKBKBKDM4EALDH1A1HTR1A
SCHEMBL7966397 0.83 IKBKB (0.38) RARAIKBKBKDM4EALDH1A1HTR1A
SCHEMBL7961925 0.82 ALDH1A1 (0.33) RARAIKBKBKDM4EALDH1A1RARG
SCHEMBL8155643 0.81 KDM4E (0.39) RARAIKBKBKDM4EALDH1A1HTR1A
SCHEMBL9065415 0.80
SCHEMBL7952003 0.79 ALDH1A1 (0.40) RARAIKBKBKDM4EALDH1A1HTR1A
SCHEMBL7951999 0.79 ALDH1A1 (0.40) RARAIKBKBKDM4EALDH1A1HTR1A
SCHEMBL7964642 0.77 F2 (0.41) RARAIKBKBHSD17B10RARGF2
SCHEMBL8380440 0.76 PTGER3 (0.56) KDM4EPTGER3CA1CA2CA4
SCHEMBL10737031 0.75 KDM4E (0.62) KDM4EALDH1A1HTR1AHPGDHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313305-B1 ANTIBIOTICS, BACTERICIDES HOECHST MARION ROUSSEL (FR) 2001-11-06 US disclosed