SCHEMBL10844233

SCHEMBL10844233

O=[N+]([O-])c1cc(OCc2ccccc2)ccc1C(CO)CO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ BACE1 P56817 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PTGES O14684 1/20 0.47
▸ CYP4F2 P78329 1/20 0.47
▸ CYP4A11 Q02928 1/20 0.47
▸ MAPT P10636 4/20 0.47
▸ LMNA P02545 1/20 0.46
▸ AR P10275 1/20 0.46
▸ CTSV O60911 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ PRKCA P17252 1/20 0.45
▸ PRKCD Q05655 1/20 0.45
▸ MAOB P27338 2/20 0.45
▸ TLR4 O00206 1/20 0.45

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
SCHEMBL6629498 0.86 BACE1 (0.50) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL6629500 0.86 BACE1 (0.50) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL27563285 0.83 MEN1 (0.48) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL27551193 0.82 ALDH1A1 (0.59) MEN1KMT2ARAB9ANPC1BACE1
SCHEMBL30832846 0.82 MEN1 (0.57) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL1663438 0.82 MEN1 (0.57) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL26604899 0.81 MEN1 (0.51) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL5733017 0.81 PKM (0.53) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL30024173 0.81 PKM (0.53) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL1734030 0.81 BACE1 (0.55) MEN1KMT2ARAB9ANPC1ATM

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-4590280-A Preparing indoline derivatives THE UPJOHN COMPANY (US) 1986-05-20 — — US disclosed
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