SCHEMBL29870167

SCHEMBL29870167

CC(C)=CCC[C@@]1(C)Oc2ccc(C(=O)O)cc2C[C@@H]1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ BACE1 P56817 1/20 0.41
▸ RXRA P19793 1/20 0.41
▸ ALOX5 P09917 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ ALOX12 P18054 2/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ POLB P06746 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ HIF1A Q16665 2/20 0.35
▸ AKR1B1 P15121 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ BCL2 P10415 1/20 0.34
▸ APP P05067 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL29870166 1.00 TDP1 (0.46) TDP1BACE1RXRAALOX5ALOX15
SCHEMBL17877817 0.90 OPRM1 (0.41) TDP1BACE1PTPN1POLBAPEX1
SCHEMBL17961090 0.82 CA2 (0.38) TDP1PTPN1POLB
SCHEMBL17877818 0.82 CA2 (0.38) TDP1PTPN1POLB
SCHEMBL17974038 0.82 TAS1R3 (0.34) BACE1PTPN1POLBAPEX1RECQL
SCHEMBL13425366 0.79 PTPN1 (0.42) RXRAALOX5ALOX15ALOX12PTPN1
SCHEMBL10431871 0.72 HIF1A (0.49) TDP1PTPN1POLBAPEX1RECQL
SCHEMBL30195971 0.67 RXRA (0.64) TDP1RXRAPOLBALDH1A1MAPK1
SCHEMBL14898029 0.67 RXRA (0.50) TDP1RXRAALOX5POLBALDH1A1
SCHEMBL3880185 0.67 RXRA (0.64) TDP1RXRAPOLBALDH1A1MAPK1

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-112940999-B Streptomyces xiamenensis and method for biologically synthesizing benzopyran and 4-hydroquinoline compounds by Streptomyces xiamenensis 上海交通大学 2022-08-23 — — CN disclosed
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