SCHEMBL20515564

SCHEMBL20515564

O=C(OCC(O)CO)c1ccccc1.[NaH]

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
ADRB2 P07550 11/20 0.62
ADRB1 P08588 11/20 0.62
ADRB3 P13945 11/20 0.62
PRKCA P17252 1/20 0.57
TDP1 Q9NUW8 2/20 0.52
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
SLC1A5 Q15758 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL1866116 0.98 ALDH1A1 (0.70) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL1866113 0.98 ALDH1A1 (0.70) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL3391 0.98 ALDH1A1 (0.70) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Benzoic Acid SCHEMBL136510 0.93 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Benzoic Acid SCHEMBL9956241 0.93 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Benzoic Acid SCHEMBL7688676 0.93 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Acetic Acid SCHEMBL28698833 0.93 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Benzoic Acid SCHEMBL28388934 0.93 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL7144537 0.90 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL4983780 0.89 ADRB2 (0.55) ALDH1A1ADRB2ADRB1ADRB3PRKCA

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
US-20180280473-A1 FORMULATION FOR TARGETING CANCER IN HUMANS AND CANINES USING CHLOROTOXIN RAMANA VIVEKANANDA (US) 2018-10-04 US claimed
CN-110655687-A A soluble dietary fiber plastic wrap extracted from brown algae and its preparation method 河南工业大学 2020-01-07 CN disclosed
CN-1441662-A self-foaming cleansing gel JOHNSON & JOHNSON CONSUMER (US) 2003-09-10 CN disclosed