SCHEMBL18229766

SCHEMBL18229766

O=C(O)CCc1c(CCC(=O)O)c2cc3nc(cc4ccc(cc5nc(cc1n2CCC(=O)O)C=C5)[nH]4)C=C3

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.38
▸ FABP4 P15090 1/20 0.38
▸ FABP5 Q01469 1/20 0.38
▸ GPR17 Q13304 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ APEX1 P27695 2/20 0.35
▸ KDM4E B2RXH2 5/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ POLB P06746 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CNKSR1 Q969H4 1/20 0.32

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
Phenyl Propionic Acid SCHEMBL27936217 0.76 KEAP1 (0.56) KDM4EHDAC6SMN1; SMN2
SCHEMBL6410839 0.74 GPR17 (0.33) GPR17APEX1KDM4E
Butyric Acid SCHEMBL28119498 0.74 FFAR3 (0.42) ALDH1A1APEX1KDM4ELMNAKMT2A
SCHEMBL6416150 0.74 CHRM1 (0.38) GPR17ALDH1A1APEX1KDM4EPOLB
SCHEMBL18229760 0.73 STAT3 (0.36) GPR17ALDH1A1APEX1KDM4EHPGD
Malonic Acid SCHEMBL5133240 0.73 STAT3 (0.36) ALDH1A1KDM4EKMT2AHPGDHSD17B10
Malonic Acid SCHEMBL27560828 0.73 STAT3 (0.36) ALDH1A1KDM4EKMT2AHPGDHSD17B10
Glycine SCHEMBL14801761 0.72 GLRA1 (0.36) ALDH1A1
Propionic Acid SCHEMBL27439210 0.72 FFAR3 (0.36) LMNAKMT2APIN1RAB9ASMN1; SMN2
Propionic Acid SCHEMBL2502176 0.72 FFAR3 (0.36) LMNAKMT2APIN1RAB9ASMN1; SMN2

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
Send feedback