SCHEMBL30882142

SCHEMBL30882142

C=Cc1ccc2cc(C(C)C(N)=O)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.43
▸ AKR1C3 P42330 11/20 0.42
▸ AKR1C2 P52895 11/20 0.42
▸ PTGS1 P23219 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CDC42 P60953 1/20 0.42
▸ RAC1 P63000 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ SLC22A6 Q4U2R8 1/20 0.42
▸ EPHX1 P07099 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ APP P05067 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
SCHEMBL29226110 1.00 PTGS2 (0.43) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL11476903 0.86 PTGS2 (0.58) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL11764188 0.82 PTGS2 (0.55) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL11462290 0.82 TDP1 (0.50) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL18770095 0.82 TDP1 (0.50) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL11742200 0.81 PTGS2 (0.57) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL29941609 0.78 UGT2B7 (0.58) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL1137612 0.78 UGT2B7 (0.58) PTGS2AKR1C3AKR1C2PTGS1TSHR
Hydrochloric Acid SCHEMBL5969924 0.77 UGT2B7 (0.56) PTGS2AKR1C3AKR1C2PTGS1TSHR
SCHEMBL11802981 0.76 UGT2B7 (0.38) PTGS2AKR1C3AKR1C2PTGS1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964831-B Preparation method and application of kavain temperature-sensitive molecularly imprinted polymer 广州伽能生物科技有限公司 2024-08-16 — — CN claimed
CN-117964831-A Preparation method and application of kavain temperature-sensitive molecularly imprinted polymer 广州伽能生物科技有限公司 2024-05-03 — — CN claimed
CN-117964831-B Preparation method and application of kavain temperature-sensitive molecularly imprinted polymer 广州伽能生物科技有限公司 2024-08-16 — — CN disclosed
CN-117964831-B Preparation method and application of kavain temperature-sensitive molecularly imprinted polymer 广州伽能生物科技有限公司 2024-08-16 — — CN disclosed
CN-117964513-B Specific functional compound and preparation method and application thereof 广州伽能生物科技有限公司 2024-06-11 — — CN disclosed
CN-117964513-B Specific functional compound and preparation method and application thereof 广州伽能生物科技有限公司 2024-06-11 — — CN disclosed
CN-117964513-A Specific functional compound and preparation method and application thereof 广州伽能生物科技有限公司 2024-05-03 — — CN disclosed
CN-117964513-A Specific functional compound and preparation method and application thereof 广州伽能生物科技有限公司 2024-05-03 — — CN disclosed
CN-117964831-A Preparation method and application of kavain temperature-sensitive molecularly imprinted polymer 广州伽能生物科技有限公司 2024-05-03 — — CN disclosed
CN-117964831-A Preparation method and application of kavain temperature-sensitive molecularly imprinted polymer 广州伽能生物科技有限公司 2024-05-03 — — CN disclosed
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