SCHEMBL9747639

SCHEMBL9747639

CCn1c2ccc(C(=O)O)cc2c2cc(-c3ccc4c(c3)c3cc(C(=O)O)ccc3n4CC)ccc21

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 13/20 0.59
HPGD P15428 4/20 0.58
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 4/20 0.54
TSHR P16473 2/20 0.54
HSD17B10 Q99714 2/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.51

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
SCHEMBL29629312 0.93 HPGD (0.65) PTGER4HPGDALDH1A1KDM4ETSHR
SCHEMBL29629313 0.93 HPGD (0.65) PTGER4HPGDALDH1A1KDM4ETSHR
SCHEMBL8922345 0.93 HPGD (0.65) PTGER4HPGDALDH1A1KDM4ETSHR
Hydrochloric Acid SCHEMBL8920877 0.92 HPGD (0.63) PTGER4HPGDALDH1A1KDM4ETSHR
SCHEMBL28267725 0.86 KDM4E (0.63) PTGER4HPGDALDH1A1KDM4ETSHR
SCHEMBL2734561 0.86 ALDH1A1 (0.78) PTGER4HPGDALDH1A1KDM4EHSD17B10
Formaldehyde SCHEMBL27586290 0.83 ALDH1A1 (0.74) PTGER4HPGDALDH1A1KDM4EHSD17B10
SCHEMBL13320186 0.82 HPGD (0.53) PTGER4HPGDALDH1A1KDM4ETSHR
SCHEMBL28267835 0.81 HPGD (0.52) PTGER4HPGDALDH1A1KDM4ETSHR
SCHEMBL13640231 0.80 KDM4E (0.57) HPGDALDH1A1KDM4ETSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180412-B1 BICARBAZOLE-OXADIAZOLE ELECTROACTIVE POLYMERS CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1992-01-02 EP disclosed
US-4620943-A Bicarbazole-oxadiazole electroactive polymers CHEVRON RESEARCH COMPANY (US) 1986-11-04 US disclosed
EP-0180412-A2 Bicarbazole-oxadiazole electroactive polymers CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1986-05-07 EP disclosed