SCHEMBL29030380

SCHEMBL29030380

C=Cc1ccc(C(=O)OO)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ TDP1 Q9NUW8 1/20 0.42
▸ TAS1R3 Q7RTX0 2/20 0.41
▸ TAS1R1 Q7RTX1 2/20 0.41
▸ SNCA P37840 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PLA2G7 Q13093 1/20 0.39
▸ TNFRSF1A P19438 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.36
▸ PARP3 Q9Y6F1 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34

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
Styrene SCHEMBL6349739 0.86 TSHR (0.54) ALDH1A1TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL440528 0.84 ALDH1A1 (0.50) ALDH1A1TDP1TAS1R3TAS1R1SNCA
SCHEMBL13482690 0.84 ALDH1A1 (0.50) ALDH1A1TDP1TAS1R3TAS1R1SNCA
SCHEMBL27618266 0.84 TNFRSF1A (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2PLA2G7
Ethylene SCHEMBL1366416 0.81 CES2 (0.43) ALDH1A1TDP1NPC1RAB9ATSHR
SCHEMBL24858286 0.81 ALDH1A1 (0.46) ALDH1A1TDP1TAS1R3TAS1R1SNCA
SCHEMBL12264951 0.81 ALDH1A1 (0.46) ALDH1A1TDP1TAS1R3TAS1R1SNCA
SCHEMBL28191877 0.81 ALDH1A1 (0.46) ALDH1A1TDP1TAS1R3TAS1R1SNCA
SCHEMBL181754 0.81 ALDH1A1 (0.68) ALDH1A1TDP1TAS1R3TAS1R1NPC1
SCHEMBL1286650 0.81 CES2 (0.48) ALDH1A1TDP1NPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116410365-A Polypropylene catalyst and preparation method and application thereof 中国石油天然气股份有限公司 2023-07-11 — — CN claimed
CN-116410367-A Catalyst system for ethylene polymerization and preparation method and application thereof 中国石油天然气股份有限公司 2023-07-11 — — CN disclosed
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