SCHEMBL6402898

SCHEMBL6402898

C=CCC(=C)c1cccc2c1ccc1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.47
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP2A6 P11509 1/20 0.40
TSHR P16473 1/20 0.40
PTK2B Q14289 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
PTPN1 P18031 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PAX8 Q06710 1/20 0.36
HPGD P15428 2/20 0.35
HIF1A Q16665 1/20 0.35
CYP1B1 Q16678 1/20 0.35
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL6385845 0.90 PTK2B (0.49) ALDH1A1HSD17B10TDP1TSHRPTK2B
SCHEMBL21327748 0.81 HPRT1 (0.48) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL6402797 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10TDP1TSHRPTK2B
SCHEMBL9678327 0.78 CYP3A4 (0.47) ALDH1A1HSD17B10TSHRPTK2BL3MBTL1
SCHEMBL27665345 0.75 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL17002599 0.75 HPRT1 (0.54) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL27582817 0.75 HPRT1 (0.48) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
Hydrogen Sulfide SCHEMBL28190560 0.74 HPRT1 (0.52) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL11882539 0.73 HPRT1 (0.47) HPRT1ALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL11882548 0.73 HPRT1 (0.47) HPRT1ALDH1A1HSD17B10TDP1CYP2A6

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
US-6900157-B2 Process for production of partially hydrophilized porous adsorbents TOSOH CORPORATION (JP) 2005-05-31 US disclosed
US-20030050403-A1 Process for production of partially hydrophilized porous adsorbents TOSOH CORPORATION 2003-03-13 US disclosed
EP-1291080-A2 Process for production of partially hydrophilized porous adsorbents Tosoh Corporation (JP) 2003-03-12 EP disclosed