SCHEMBL9940942

SCHEMBL9940942

O=C1CC2Cc3ccccc3[C@H]2O1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ANPEP P15144 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
KDM1A O60341 4/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOTUM Q6P988 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
SCHEMBL9940902 1.00 KMT2A (0.37) KMT2ACYP2C9CYP2C19ANPEPGRIN2D
SCHEMBL9971048 1.00 KMT2A (0.37) KMT2ACYP2C9CYP2C19ANPEPGRIN2D
SCHEMBL30804405 1.00 KMT2A (0.37) KMT2ACYP2C9CYP2C19ANPEPGRIN2D
SCHEMBL9343752 0.84 SIGMAR1 (0.40)
Hydrochloric Acid SCHEMBL22127330 0.82 IDO1 (0.41)
SCHEMBL11043767 0.78 CHRM2 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11046975 0.78 CHRM2 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16985023 0.78 ACHE (0.38) KMT2A
SCHEMBL11553791 0.74 ANPEP (0.36) KMT2ACYP2C9CYP2C19ANPEPSMN1; SMN2
SCHEMBL11545276 0.74 ANPEP (0.36) KMT2ACYP2C9CYP2C19ANPEPSMN1; SMN2

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-2651890-B1 STRIGOLACTAM DERIVATIVES AND THEIR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2014-09-10 EP disclosed
EP-2651890-A1 STRIGOLACTAM DERIVATIVES AND THEIR USE AS PLANT GROWTH REGULATORS Syngenta Participations AG (CH) 2013-10-23 EP disclosed
WO-2012080115-A1 STRIGOLACTAM DERIVATIVES AND THEIR USE AS PLANT GROWTH REGULATORS SYNGENTA PARTICIPATIONS AG (CH) 2012-06-21 WO disclosed