SCHEMBL28294431

SCHEMBL28294431

CC(=O)Nc1cccc(C)c1Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ HPGD P15428 1/20 0.59
▸ POLB P06746 2/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL22339032 0.84 TAS2R38 (0.42) ALDH1A1HPGDPOLBALOX15GAA
SCHEMBL6282611 0.83 PTGDR2 (0.47) ALDH1A1HPGDPOLBALOX15PTGDR2
SCHEMBL22325859 0.83 POLB (0.47) ALDH1A1HPGDPOLBALOX15PTGDR2
SCHEMBL14046286 0.80 ALDH1A1 (0.61) ALDH1A1HPGDALOX15NPC1RAB9A
SCHEMBL11166000 0.80 ALDH1A1 (0.45) ALDH1A1HPGDPOLBGAACYP2C19
SCHEMBL11165601 0.78 EPHX1 (0.69) ALDH1A1HPGDPOLBTDP1NPC1
SCHEMBL2342698 0.77 ADRA2C (0.64) ALDH1A1POLBGAATDP1RAB9A
SCHEMBL30327328 0.77 ADRA2C (0.64) ALDH1A1POLBGAATDP1RAB9A
Acetic Acid SCHEMBL28756539 0.76 HPGD (0.92) ALDH1A1HPGDPOLBCYP2C19NPC1
SCHEMBL27730142 0.76 GAA (0.46) ALDH1A1HPGDALOX15GAACYP2C19

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-109640649-A Promote the method for plant health using resolvase and the microorganism for being overexpressed enzyme 斯波根生物技术公司 2019-04-16 — — CN disclosed
Send feedback