SCHEMBL28908922

SCHEMBL28908922

O=C(O)c1ccccc1CCCO[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.50
PTGS2 P35354 1/20 0.50
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
ESR2 Q92731 2/20 0.42
SLC16A3 O15427 5/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA9 Q16790 1/20 0.41
TSHR P16473 1/20 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
SCHEMBL15941675 0.82 ALDH1A1 (0.59) PTGS2CYP3A4TSHR
SCHEMBL2960866 0.81 TP53 (0.50) FOLH1PTGS2CYP1A2CYP3A4CYP2C19
SCHEMBL15536946 0.81 MGLL (0.45) PTGS2ESR2CA12CA1CA2
SCHEMBL3130804 0.81 PTGS2 (0.53) PTGS2SLC16A3TSHR
SCHEMBL31663648 0.80 FOLH1 (0.59) FOLH1CYP4F2CYP4A11SLC16A3TSHR
SCHEMBL31474045 0.78 FOLH1 (0.70) FOLH1SLC16A3CA12CA1CA2
SCHEMBL729909 0.78 FOLH1 (0.70) FOLH1SLC16A3CA12CA1CA2
SCHEMBL5149418 0.78 HMGB1 (0.56) FOLH1PTGS2TSHR
SCHEMBL2452570 0.78 ALDH1A1 (0.60) FOLH1CYP4F2CYP4A11
SCHEMBL4703927 0.78 FOLH1 (0.56) FOLH1CYP4F2CYP4A11SLC16A3TSHR

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-112423599-A Continuous preparation of nitroxyl functional organic compound adsorbent articles 帝斯曼知识产权资产管理有限公司 2021-02-26 CN disclosed