SCHEMBL28247256

SCHEMBL28247256

C=Cc1ccccc1B(O)O.[NaH]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
ENPP2 Q13822 2/20 0.40
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ORAI1 Q96D31 1/20 0.34
ORAI2 Q96SN7 1/20 0.34
ORAI3 Q9BRQ5 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
TSHR P16473 2/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
LIPE Q05469 1/20 0.33

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
SCHEMBL29418119 0.98 ALDH1A1 (0.44) ALDH1A1ENPP2MEN1LMNATHRB
SCHEMBL393924 0.98 ALDH1A1 (0.44) ALDH1A1ENPP2MEN1LMNATHRB
SCHEMBL28246525 0.95 ALDH1A1 (0.43) ALDH1A1ENPP2MEN1LMNATHRB
SCHEMBL7628411 0.84 ALDH1A1 (0.44) ALDH1A1ENPP2MEN1LMNATHRB
SCHEMBL29399191 0.81 LMNA (0.57) ALDH1A1ENPP2MEN1LMNATHRB
SCHEMBL233987 0.81 LMNA (0.57) ALDH1A1ENPP2MEN1LMNATHRB
SCHEMBL23797212 0.79 LMNA (0.55) ALDH1A1ENPP2MEN1LMNATHRB
Hydrochloric Acid SCHEMBL28918663 0.79 LMNA (0.55) ALDH1A1ENPP2MEN1LMNATHRB
SCHEMBL28597133 0.79 LMNA (0.55) ALDH1A1ENPP2MEN1LMNATHRB
SCHEMBL1157822 0.78 NFE2L2 (0.46) ALDH1A1ENPP2MEN1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073654-B Additive for inhibiting cement hydration, preparation method and application thereof 清华大学 2023-11-10 CN claimed
CN-108546318-A A kind of water-soluble polymer and the preparation method and application thereof 清华大学 2018-09-18 CN claimed
CN-115073654-B Additive for inhibiting cement hydration, preparation method and application thereof 清华大学 2023-11-10 CN disclosed
CN-115073654-A Additive for inhibiting cement hydration, preparation method and application thereof 清华大学 2022-09-20 CN disclosed
CN-114075054-A Dispersant for oil well cement and cement composition 中国石油化工股份有限公司 2022-02-22 CN disclosed
CN-108546318-A A kind of water-soluble polymer and the preparation method and application thereof 清华大学 2018-09-18 CN disclosed