SCHEMBL31457122

SCHEMBL31457122

CCCc1c(C)cccc1OO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ CXCR5 P32302 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.35
▸ ALOX5 P09917 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL4961769 0.82 ALOX5 (0.42) TSHRNOS2KDM4EALOX5PTGS2
SCHEMBL27980992 0.79 LMNA (0.42) TSHRGAAMAPT
SCHEMBL1836739 0.79 CXCR5 (0.41) TSHRCXCR5KDM4EALDH1A1SLC22A12
SCHEMBL15050026 0.79 NOS2 (0.48) TSHRNOS2CXCR5KDM4EALDH1A1
SCHEMBL2697925 0.78 TSHR (0.36) TSHRNOS2CXCR5KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL14719473 0.77 NOS2 (0.47) TSHRNOS2CXCR5KDM4EALDH1A1
SCHEMBL28785460 0.76 ALOX5 (0.40) TSHRKDM4EALOX5PTGS2MAPT
SCHEMBL2697657 0.75 TSHR (0.35) TSHRNOS2CXCR5GAAMAPT
SCHEMBL2783603 0.75 ALDH1A1 (0.49) CXCR5KDM4EALOX5ALDH1A1GAA
Hydrochloric Acid SCHEMBL28711794 0.74 NOS2 (0.45) TSHRNOS2CXCR5KDM4EALDH1A1

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-119661797-A Cationic high-solid-content acrylic resin and preparation method thereof, and marine antifouling paint and preparation method thereof 中国人民解放军海军军医大学 2025-03-21 — — CN disclosed
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