SCHEMBL31663469

SCHEMBL31663469

COc1ccc(Br)c(C=O)c1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.66
PRKDC P78527 1/20 0.48
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
TUBB1 Q9H4B7 4/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 0.40
TUBA4A P68366 2/20 0.40
TUBB4B P68371 2/20 0.40
TUBB3 Q13509 2/20 0.40
TUBB2A Q13885 2/20 0.40
TUBB8 Q3ZCM7 2/20 0.40
TUBA3E Q6PEY2 2/20 0.40

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
SCHEMBL4374159 1.00 ERN1 (0.66) ERN1PRKDCALDH1A1TSHRTUBB1
SCHEMBL5552745 0.85 ERN1 (0.61) ERN1PRKDCALDH1A1TSHRTUBB1
SCHEMBL21823620 0.84 ERN1 (0.57) ERN1PRKDCALDH1A1TUBB1MAPT
SCHEMBL2743917 0.84 ERN1 (0.57) ERN1PRKDCALDH1A1TSHRTUBB1
SCHEMBL10163104 0.84 ERN1 (0.57) ERN1PRKDCALDH1A1TSHRTUBB1
SCHEMBL29459689 0.84 ERN1 (0.48) ERN1PRKDCALDH1A1TSHRMAPT
SCHEMBL1001988 0.84 ERN1 (0.48) ERN1PRKDCALDH1A1TSHRMAPT
SCHEMBL4943871 0.83 ERN1 (0.59) ERN1PRKDCALDH1A1TSHRTUBB1
SCHEMBL25286856 0.82 ERN1 (0.68) ERN1PRKDCALDH1A1TSHRMAPT
SCHEMBL10834671 0.82 ERN1 (0.58) ERN1PRKDCALDH1A1LMNAABCG2

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-120349234-A Total synthesis method of salvianolic acid F 西双版纳傣药研究院有限公司 2025-07-22 CN disclosed