SCHEMBL10604152

SCHEMBL10604152

CCOc1ccc(OCC)c(C(O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
NQO1 P15559 1/20 0.48
EPHX1 P07099 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA1A P35348 1/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LTA4H P09960 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HIF1A Q16665 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7152597 0.84 ADRA1A (0.63) KDM4ENQO1EPHX1ADRA2AADRA1A
SCHEMBL10602441 0.83 LTA4H (0.56) LTA4HNPC1
SCHEMBL18929969 0.82 NQO1 (0.50) KDM4ENQO1EPHX1MEN1KMT2A
SCHEMBL5055098 0.81 ADRA2A (0.62) KDM4ENQO1EPHX1ADRA2AADRA1A
SCHEMBL7784261 0.81 ADRA2A (0.62) KDM4ENQO1EPHX1ADRA2AADRA1A
SCHEMBL9632245 0.80 ADRA2A (0.45) KDM4ENQO1EPHX1ADRA2AADRA1A
Hydrochloric Acid SCHEMBL9868612 0.80 MEN1 (0.63) KDM4ENQO1ADRA2AADRA1AHTT
SCHEMBL28029942 0.79 KDM4E (0.47) KDM4ENQO1EPHX1HTTMEN1
SCHEMBL10601381 0.79 TRPA1 (0.39) HTTTSHRALDH1A1NPC1CYP3A4
SCHEMBL2498271 0.77 NQO1 (0.59) KDM4ENQO1EPHX1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212482-B1 PROCESS FOR OBTAINING NEGATIVE IMAGES FROM POSITIVE PHOTORESISTS HOECHST CELANESE CORPORATION (US) 1989-04-19 EP disclosed
EP-0212482-A2 Process for obtaining negative images from positive photoresists HOECHST CELANESE CORPORATION (US) 1987-03-04 EP disclosed