SCHEMBL9778247

SCHEMBL9778247

C=CCNC(=O)c1c(C(=O)O)cccc1-c1cccc(C(=O)O)c1C(=O)NCC=C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.59
ALDH1A1 P00352 6/20 0.59
CYP1A2 P05177 2/20 0.54
MAPT P10636 2/20 0.51
LMNA P02545 3/20 0.50
ALOX15 P16050 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 2/20 0.44
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL8677371 0.84 ALOX15 (0.47) HPGDALDH1A1CYP1A2MAPTLMNA
SCHEMBL5885064 0.81 HPGD (0.68) HPGDALDH1A1CYP1A2MAPTLMNA
SCHEMBL8701347 0.79 ALOX15 (0.57) HPGDALDH1A1CYP1A2MAPTLMNA
SCHEMBL14483838 0.78 HPGD (0.55) HPGDALDH1A1CYP1A2MAPTLMNA
SCHEMBL8517092 0.77 HPGD (0.62) HPGDALDH1A1CYP1A2MAPTLMNA
SCHEMBL28761313 0.77 HPGD (0.72) HPGDALDH1A1CYP1A2MAPTLMNA
SCHEMBL1840255 0.76 ALOX15 (0.56) HPGDALDH1A1CYP1A2MAPTLMNA
SCHEMBL9778175 0.75 HPGD (0.55) HPGDALDH1A1CYP1A2MAPTLMNA
SCHEMBL31094961 0.75 HPGD (0.65) HPGDALDH1A1CYP1A2MAPTLMNA
SCHEMBL9725036 0.73 HPGD (0.61) HPGDALDH1A1CYP1A2MAPTLMNA

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-5009934-A Process for preparing poly-(imidesiloxanes) WACKER-CHEMIE GMBH (DE) 1991-04-23 US disclosed