SCHEMBL8890296

SCHEMBL8890296

COc1ccc(C(=O)O)cc1COc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
GAA P10253 2/20 0.61
TTR P02766 1/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
POLB P06746 2/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
RAB9A P51151 3/20 0.55
TSHR P16473 2/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55

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
SCHEMBL8891792 0.89 TSHR (0.63) ALDH1A1GAAMEN1KMT2ACYP1A2
SCHEMBL8888574 0.89 ALDH1A1 (0.59) ALDH1A1GAAMEN1KMT2ACYP1A2
SCHEMBL10690676 0.84 L3MBTL1 (0.65) ALDH1A1GAAMEN1KMT2APOLB
SCHEMBL12354253 0.83 TSHR (0.70) ALDH1A1GAAMEN1KMT2ACYP1A2
SCHEMBL8890162 0.82 KMT2A (0.53) ALDH1A1GAATTRMEN1KMT2A
SCHEMBL4449146 0.81 NR4A2 (0.56) GAAMEN1KMT2APOLBRAB9A
SCHEMBL31482052 0.81 MEN1 (0.55) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL8892297 0.81 RXRA (0.54) TTRMEN1KMT2AL3MBTL1RAB9A
SCHEMBL9363785 0.80 ALDH1A1 (0.56) ALDH1A1GAAMEN1KMT2ACYP1A2
SCHEMBL7368821 0.79 CA12 (0.67) ALDH1A1TTRMEN1KMT2ARAB9A

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
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed