SCHEMBL9729759

SCHEMBL9729759

CN(O)C(=O)C1COc2ccc(Oc3ccccc3)cc2C1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.59
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
FAAH O00519 2/20 0.43

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
SCHEMBL9730306 0.76 ALOX5 (0.80) ALOX5
SCHEMBL9729641 0.74 ALOX5 (1.00) ALOX5
SCHEMBL28379701 0.72 TP53 (0.63) LMNATP53
SCHEMBL22165412 0.72 TP53 (0.63) LMNATP53
SCHEMBL30292011 0.72 TP53 (0.63) LMNATP53
SCHEMBL1519082 0.72 TP53 (0.63) LMNATP53
SCHEMBL8641892 0.70 ALOX5 (0.42) ALOX5FAAH
SCHEMBL1519402 0.70 TP53 (0.49) AKR1C4AKR1C3AKR1C2AKR1C1LMNA
SCHEMBL16303419 0.70 MTNR1A (0.66) LMNATP53
SCHEMBL1519543 0.69 AKR1C4 (0.59) AKR1C4AKR1C3AKR1C2AKR1C1LMNA

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
US-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
EP-0412939-A2 Certain benzopyran and benzothiopyran derivatives CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed