SCHEMBL11458679

SCHEMBL11458679

CCOC(=O)C(C(C)=O)C(C)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
PIN1 Q13526 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
GABRA1 P14867 1/20 0.42
CYP2C19 P33261 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL9225532 0.91 MMP8 (0.54) MMP8SMN1; SMN2PIN1MEN1KMT2A
SCHEMBL7418448 0.88 MMP8 (0.51) MMP8SMN1; SMN2PIN1MEN1KMT2A
SCHEMBL10869302 0.85 MMP8 (0.51) MMP8SMN1; SMN2TP53PIN1MEN1
SCHEMBL27814580 0.85 SMN1; SMN2 (0.59) MMP8SMN1; SMN2TP53PIN1MEN1
SCHEMBL16477715 0.84 MMP8 (0.54) MMP8SMN1; SMN2PIN1MEN1KMT2A
SCHEMBL13751893 0.84 MMP8 (0.54) MMP8SMN1; SMN2PIN1MEN1KMT2A
SCHEMBL7057177 0.84 BRD4 (0.53) SMN1; SMN2TP53MEN1KMT2APOLB
SCHEMBL7056451 0.84 SMN1; SMN2 (0.49) SMN1; SMN2TP53MEN1KMT2ANPC1
SCHEMBL3240811 0.83 MMP8 (0.50) MMP8SMN1; SMN2TP53PIN1MEN1
SCHEMBL3236310 0.83 KMT2A (0.56) MEN1KMT2ATSHRALDH1A1LMNA

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
US-4218452-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-08-19 US disclosed
US-4159329-A BLOCKING AGENTS, ANTAGONISTS, ANTIHISTAMINES SMITHKLINE & FRENCH LABORATORIES LIMITED (GB) 1979-06-26 US disclosed
US-4145546-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-03-20 US disclosed