SCHEMBL7402001

SCHEMBL7402001

CC=C(C)C1(C)CC(O)=C(C(=O)CCC)C(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 3/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 3/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ LMNA P02545 1/20 0.31

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
SCHEMBL7401945 0.75 FASN (0.37) FASNSMN1; SMN2TSHRALOX12ALDH1A1
SCHEMBL9687286 0.71 SMN1; SMN2 (0.32) FASNSMN1; SMN2TSHRALOX12
SCHEMBL7953371 0.71 ALOX15 (0.42) FASNSMN1; SMN2TSHRALOX12ALDH1A1
SCHEMBL11131044 0.70 PTPN1 (0.47) ALDH1A1KMT2A
SCHEMBL9686612 0.70 FASN (0.34) FASNSMN1; SMN2TSHRALOX12ALDH1A1
SCHEMBL11074690 0.68 ALDH1A1 (0.54) SMN1; SMN2TSHRALDH1A1LMNA
SCHEMBL11742802 0.68 PTPN1 (0.41) FASNSMN1; SMN2TSHRALOX12ALDH1A1
SCHEMBL8806337 0.66 PRKCA (0.34) ALDH1A1
SCHEMBL21973203 0.65 MAOA (0.41) FASNSMN1; SMN2TSHRALDH1A1KMT2A
SCHEMBL18940255 0.65 MAOA (0.41) FASNSMN1; SMN2TSHRALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 — — EP disclosed
EP-1203770-A1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases PHARMACIA & UPJOHN COMPANY (US) 2002-05-08 — — EP disclosed
US-6169181-B1 HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITORS PHARMACIA & UPJOHN COMPANY 2001-01-02 — — US disclosed
US-5852195-A Pyranone compounds useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1998-12-22 — — US disclosed
WO-1995030670-A2 PYRANONE COMPOUNDS USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-16 — — WO disclosed
EP-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 — — EP disclosed
WO-1994011361-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1994-05-26 — — WO disclosed
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