SCHEMBL30452045

SCHEMBL30452045

O=C(O)Cc1cc(O)ccc1O.O=C(O)Cc1cc(O)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.70
AKR1B1 P15121 2/20 0.59
LCK P06239 2/20 0.54
POLB P06746 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
NFKB1 P19838 2/20 0.51
PMP22 Q01453 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GLA P06280 1/20 0.51
CYP2C9 P11712 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CAMK2A Q9UQM7 3/20 0.50
CA2 P00918 2/20 0.50
KDM4E B2RXH2 1/20 0.50
RGS12 O14924 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL155333 1.00 EGFR (0.70) EGFRAKR1B1LCKPOLBMEN1
SCHEMBL2535192 1.00 EGFR (0.70) EGFRAKR1B1LCKPOLBMEN1
SCHEMBL29354171 1.00 EGFR (0.70) EGFRAKR1B1LCKPOLBMEN1
Gentisic Acid SCHEMBL29793329 0.89 CA1 (0.69) EGFRAKR1B1LCKMEN1KMT2A
Benzoic Acid SCHEMBL3326836 0.88 EGFR (0.57) EGFRAKR1B1LCKMEN1KMT2A
SCHEMBL19554162 0.85 HSD17B10 (0.62) EGFRLCKPOLBMEN1KMT2A
SCHEMBL156238 0.84 TYR (0.60) EGFRAKR1B1POLBMEN1KMT2A
SCHEMBL18321224 0.84 EGFR (0.53) EGFRLCKHPGDALDH1A1CYP2C9
SCHEMBL29419312 0.84 TYR (0.60) EGFRAKR1B1POLBMEN1KMT2A
Cysteine SCHEMBL2119561 0.82 EGFR (0.52) EGFRAKR1B1LCKPOLBMEN1

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
CN-114908016-B Pseudomonas denitrificans and application thereof in field of sewage and wastewater purification 青岛蔚蓝赛德生物科技有限公司 2023-05-19 CN disclosed