SCHEMBL11301299

SCHEMBL11301299

O=C(O)CC(Br)c1ccc2c(c1)OCO2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
MAPK9 P45984 1/20 0.55
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 4/20 0.47
CYP2C19 P33261 4/20 0.47
CYP2C9 P11712 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 2/20 0.47
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
ITGB3 P05106 3/20 0.45
ITGA2B P08514 3/20 0.45
MME P08473 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
EDNRA P25101 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
SCHEMBL5858099 0.84 KMT2A (0.62) KMT2AMAPK9ALDH1A1MAPK1CYP1A2
SCHEMBL4673967 0.81 KMT2A (0.59) KMT2AMAPK9ALDH1A1MAPK1CYP1A2
SCHEMBL31295300 0.81 KMT2A (0.59) KMT2AMAPK9ALDH1A1MAPK1CYP1A2
SCHEMBL3728878 0.81 KMT2A (0.59) KMT2AMAPK9ALDH1A1MAPK1CYP1A2
SCHEMBL5150990 0.81 KMT2A (0.59) KMT2AMAPK9ALDH1A1MAPK1CYP1A2
Hydrochloric Acid SCHEMBL5148928 0.80 KMT2A (0.58) KMT2AMAPK9ALDH1A1MAPK1CYP1A2
Hydrochloric Acid SCHEMBL6755379 0.80 KMT2A (0.58) KMT2AMAPK9ALDH1A1MAPK1CYP1A2
SCHEMBL6705049 0.80 KMT2A (0.73) KMT2AMAPK9ALDH1A1MAPK1CYP1A2
Hydrochloric Acid SCHEMBL7976302 0.80 KMT2A (0.58) KMT2AMAPK9ALDH1A1MAPK1CYP1A2
SCHEMBL7333176 0.79 MAPK9 (0.55) KMT2AMAPK9ALDH1A1MAPK1CYP1A2

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-4307232-A Preparation of dialkyl- and diarylphosphonoalkanoic acids and substituted acrylic acids E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-12-22 US disclosed