SCHEMBL30854944

SCHEMBL30854944

CCCn1c2ccccc2c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
HPGD P15428 2/20 0.62
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
POLB P06746 3/20 0.58
LMNA P02545 2/20 0.58
USP2 O75604 1/20 0.58
MAPT P10636 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
PGR P06401 2/20 0.56
RORA P35398 1/20 0.56
RORC P51449 1/20 0.56
RORB Q92753 1/20 0.56
GPR3 P46089 1/20 0.54
FABP4 P15090 2/20 0.53

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
SCHEMBL30012682 1.00 ALDH1A1 (0.62) ALDH1A1HPGDCYP1A2CYP2C19POLB
SCHEMBL153959 1.00 ALDH1A1 (0.62) ALDH1A1HPGDCYP1A2CYP2C19POLB
SCHEMBL29101964 0.98 ALDH1A1 (0.60) ALDH1A1HPGDCYP1A2CYP2C19POLB
SCHEMBL13386557 0.87 ALDH1A1 (0.71) ALDH1A1HPGDPOLBLMNAUSP2
SCHEMBL17854681 0.87 ALDH1A1 (0.55) ALDH1A1HPGDCYP1A2CYP2C19POLB
SCHEMBL6420094 0.87 ALDH1A1 (0.51) ALDH1A1HPGDCYP1A2CYP2C19POLB
SCHEMBL17854676 0.87 HPGD (0.63) ALDH1A1HPGDPOLBLMNAUSP2
SCHEMBL1335135 0.86 PGR (0.73) ALDH1A1HPGDCYP1A2CYP2C19LMNA
SCHEMBL29531665 0.86 PGR (0.73) ALDH1A1HPGDCYP1A2CYP2C19LMNA
SCHEMBL15458667 0.85 HPGD (0.61) ALDH1A1HPGDCYP1A2CYP2C19POLB

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
EP-4484410-A1 PROCESS FOR THE PREPARATION OF N-ALKYLCARBAZOLES BY METAL-FREE AROMATISATION Heubach Holding Switzerland Ltd (CH) 2025-01-01 EP disclosed
CN-118561233-A Liquid hydrogen storage composition and preparation method thereof 武汉氢阳能源有限公司 2024-08-30 CN disclosed
US-20240034899-A1 CURABLE COMPOSITION TOKYO OHKA KOGYO CO., LTD. (JP) 2024-02-01 US disclosed