SCHEMBL9416685

SCHEMBL9416685

COC(=O)C1(C(=O)O)C(C)=C1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
KCNN4 O15554 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 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
SCHEMBL9416689 0.87 ALDH1A1 (0.35) KMT2AMEN1HTTTSHRTDP1
SCHEMBL28179582 0.73 THRB (0.50) KMT2AMEN1HTTTSHRTDP1
SCHEMBL8179048 0.69 OPRK1 (0.49) KMT2AMEN1HTTTSHRALDH1A1
SCHEMBL71320 0.62 NPSR1 (0.41) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL16111377 0.62 NPSR1 (0.41) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL31369012 0.62 MEN1 (0.38) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL25227832 0.60 FFAR3 (0.70) KMT2AMEN1HTTTSHRALDH1A1
SCHEMBL10210598 0.60 FFAR3 (0.70) KMT2AMEN1HTTTSHRALDH1A1
SCHEMBL5080920 0.60 MEN1 (0.37) KMT2AMEN1TSHRALDH1A1HSD17B10
SCHEMBL9143861 0.60 MEN1 (0.37) KMT2AMEN1TSHRALDH1A1HSD17B10

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-5292937-A Use of malonic acid derivative compounds for retarding plant growth RHONE-POULENC INC. (US) 1994-03-08 US disclosed
US-5123951-A Ethylene response inducing agent and malonic acid derivative RHONE-POULENC NEDERLAND B.V. (NL) 1992-06-23 US disclosed