SCHEMBL18229760

SCHEMBL18229760

O=C(O)CCc1c(CCC(=O)O)c2[nH]c1cc1nc(cc3ccc(cc4nc(c2CCC(=O)O)C=C4)[nH]3)C=C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.33
▸ APEX1 P27695 2/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ GPR17 Q13304 6/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ EGFR P00533 3/20 0.32
▸ PRKAG1 P54619 1/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ PRKAA1 Q13131 1/20 0.32
▸ PRKAB1 Q9Y478 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL18229762 0.81 STAT3 (0.44) STAT3STAT1KDM4EAPEX1CHRM1
SCHEMBL9450931 0.76 STAT3 (0.46) STAT3STAT1KDM4EALDH1A1EGFR
SCHEMBL6416150 0.75 CHRM1 (0.38) STAT3STAT1KDM4EAPEX1CHRM1
SCHEMBL5072857 0.74 HSD17B10 (0.34) APEX1GPR17EGFRHPGDHSD17B10
Phenyl Propionic Acid SCHEMBL27936217 0.74 KEAP1 (0.56) KDM4ECHRM1
SCHEMBL18229766 0.73 FABP3 (0.38) KDM4EAPEX1GPR17ALDH1A1HPGD
SCHEMBL6410839 0.73 GPR17 (0.33) KDM4EAPEX1CHRM1GPR17EGFR
SCHEMBL5533945 0.72 STAT3 (0.49) STAT3STAT1
Butyric Acid SCHEMBL28119498 0.72 FFAR3 (0.42) STAT3STAT1KDM4EAPEX1CHRM1
Malonic Acid SCHEMBL5133240 0.71 STAT3 (0.36) STAT3STAT1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10900071-B2 Identification of genetic modifications WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2021-01-26 — — US disclosed
US-20190040457-A1 IDENTIFICATION OF GENETIC MODIFICATIONS WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2019-02-07 — — US disclosed
EP-3307755-A1 IDENTIFICATION OF GENETIC MODIFICATIONS Wake Forest University Health Sciences (US) 2018-04-18 — — EP disclosed
WO-2016183289-A1 IDENTIFICATION OF GENETIC MODIFICATIONS WAKE FOREST UNIVERSITY HEALTH SERVICES (US) 2016-11-17 — — WO disclosed
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