SCHEMBL29997487

SCHEMBL29997487

CCC(c1ccccc1OC1=CC=CC(C(=O)O)(C(=O)O)C1)c1ccccc1OC1=CC=CC(C(=O)O)(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 3/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
S1PR2 O95136 2/20 0.31
CYSLTR2 Q9NS75 2/20 0.31
CYSLTR1 Q9Y271 2/20 0.31
CXCR5 P32302 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL28956741 0.81 LTB4R (0.38)
SCHEMBL29997642 0.70
Ammonia Solution, Strong SCHEMBL7130183 0.67 SLC6A4 (0.49) L3MBTL1KMT2APOLBHTTNPSR1
SCHEMBL2201298 0.66 SLC6A4 (0.50) L3MBTL1KMT2APOLBHTTNPSR1
Ammonia Solution, Strong SCHEMBL6001135 0.65 IDO1 (0.52) L3MBTL1KMT2APOLBMEN1HPGD
Ammonia Solution, Strong SCHEMBL9642142 0.64 ALDH1A1 (0.52) KDM4ETDP1
SCHEMBL6003517 0.63 HTT (0.45) KMT2AKDM4EPOLBMEN1HPGD
SCHEMBL11750476 0.63 IDO1 (0.53) L3MBTL1KMT2APOLBMEN1HPGD
SCHEMBL28742909 0.63
SCHEMBL29000955 0.62

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-115206186-A Optical film 住友化学株式会社 2022-10-18 CN disclosed