SCHEMBL8941730

SCHEMBL8941730

COC1=CCC(OC)=CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL1145502 0.96
SCHEMBL11455861 0.84
SCHEMBL1031340 0.80
SCHEMBL11801827 0.78
SCHEMBL11807487 0.76
SCHEMBL7415614 0.76
SCHEMBL1647723 0.76
SCHEMBL7328006 0.75
SCHEMBL3015822 0.74
SCHEMBL6140786 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020070672-A1 HYDRIDE DONORS AS AN ADDITIVE FOR REDUCING LOW SPEED PRE-IGNITION EVENTS CHEVRON ORONITE COMPANY LLC (US) 2020-04-09 WO disclosed
US-5480913-A DIHYDRO-PHENANTHRENE DERIVATIVES, SIDE EFFECT REDUCTION ARCH DEVELOPMENT CORPORATION (US) 1996-01-02 US disclosed
EP-0363128-B1 ANTI-ANDROGEN COMPOUNDS ARCH DEVELOPMENT CORPORATION (US) 1993-09-01 EP disclosed
US-5208263-A Dihydrophenanthrene derivatives ARCH DEVELOPMENT CORPORATION (US) 1993-05-04 US disclosed
WO-1990003979-A2 ANTI-ANDROGEN COMPOUNDS ARCH DEVELOPMENT CORPORATION (US) 1990-04-19 WO disclosed
EP-0363128-A2 Anti-androgen compounds ARCH DEVELOPMENT CORPORATION (US) 1990-04-11 EP disclosed