SCHEMBL29459482

SCHEMBL29459482

CC(c1ccccc1)(c1ccccc1OCCO)c1ccccc1OCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 6/20 0.48
GAA P10253 3/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
IDO1 P14902 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
HTT P42858 2/20 0.39
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL15509371 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EGAACYP1A2CYP2D6
SCHEMBL15509610 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EGAACYP1A2CYP2D6
SCHEMBL29386572 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EGAACYP1A2CYP2D6
SCHEMBL29429255 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EGAACYP1A2CYP2D6
SCHEMBL869592 0.82 ALDH1A1 (0.53) ALDH1A1KDM4EGAACYP1A2CYP2D6
SCHEMBL8142983 0.82 ALDH1A1 (0.65) ALDH1A1KDM4EGAACYP1A2CYP2D6
SCHEMBL31300107 0.81 ALDH1A1 (0.49) ALDH1A1KDM4EGAACYP1A2CYP2D6
SCHEMBL15509357 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EGAACYP1A2CYP2D6
SCHEMBL22650215 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EGAACYP1A2CYP2D6
SCHEMBL29459411 0.78 ALDH1A1 (0.49) ALDH1A1KDM4EGAACYP1A2CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114072461-B Thermoplastic resin composition, molded article and product 三菱电机株式会社 2023-11-14 CN disclosed
WO-2023176397-A1 POLYCARBONATE RESIN COMPOSITION AND MOLDED ARTICLE 帝人株式会社 2023-09-21 WO disclosed
CN-111684013-B Thermoplastic resin composition and molded article thereof 帝人株式会社 2023-02-28 CN disclosed
WO-2023281602-A1 THERMOPLASTIC RESIN COMPOSITION, MOLDED ARTICLE AND PRODUCT 三菱電機株式会社 2023-01-12 WO disclosed
WO-2022075328-A1 POLYCARBONATE RESIN COMPOSITION AND CIRCUIT MOLDED ARTICLE FOR COMMUNICATION DEVICES 帝人株式会社 2022-04-14 WO disclosed