SCHEMBL7563288

SCHEMBL7563288

COC(=O)C1(C)CCC(OC)=CO1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL8108583 0.82 PSEN1 (0.31)
SCHEMBL11636681 0.81 CYP3A4 (0.33) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C9
SCHEMBL8108521 0.81 PSEN1 (0.30)
SCHEMBL8106280 0.79 LMNA (0.42) SMN1; SMN2MEN1KMT2ACYP3A4CYP2C19
SCHEMBL7561746 0.69
SCHEMBL7927562 0.68 NPSR1 (0.33) MEN1KMT2ACYP3A4CYP2C9PKM
SCHEMBL18789234 0.67 NPSR1 (0.32) MEN1KMT2ACYP3A4NPSR1
SCHEMBL18789245 0.66 SMN1; SMN2 (0.33) SMN1; SMN2MEN1KMT2ACYP3A4NPSR1
SCHEMBL757258 0.63
SCHEMBL2121481 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1013652-B1 Process for preparation of substituted chromanderivatives BASF AG (DE) 2002-08-14 EP disclosed
US-6136986-A REACTING SUBSTITUTED ACROLEIN COMPOUND WITH ACRYLATES, ACROLEINS, ACROLEIN ACETALS, ALLYL ALCOHOLS OR ALLYL ETHERS TO GIVE 3,4-DIHYDRO-2H-PYRANS, REACTING WITH ACID, FOLLOWED BY REACTING WITH SUBSTITUETED VINYL KETONE, DEHYDROGENATION BASF AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed
EP-1013652-A2 Process for preparation of substituted chromanderivatives BASF AKTIENGESELLSCHAFT (DE) 2000-06-28 EP disclosed