SCHEMBL11518776

SCHEMBL11518776

Cc1ccc(-c2cc(=O)c3cc(C(=O)O)ccc3o2)c(OC(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
POLB P06746 1/20 0.53
ADORA3 P0DMS8 2/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 4/20 0.49
TP53 P04637 3/20 0.49
HSD17B10 Q99714 3/20 0.49
MEN1 O00255 1/20 0.49
CYP2C9 P11712 1/20 0.49
PTGER1 P34995 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
KMT2A Q03164 1/20 0.49
PTGDR Q13258 1/20 0.49
CYP3A4 P08684 3/20 0.45
MAPT P10636 2/20 0.45
CSNK2A2 P19784 2/20 0.44
CSNK2B P67870 2/20 0.44
CSNK2A1 P68400 2/20 0.44
TSHR P16473 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
SCHEMBL11519550 0.91 KDM4E (0.53) KDM4EPOLBADORA3ALDH1A1HPGD
SCHEMBL11519582 0.88 TNKS (0.50) KDM4EPOLBADORA3ALDH1A1HPGD
Isocromil SCHEMBL2109291 0.87 ALDH1A1 (0.55) KDM4EPOLBALDH1A1HPGDTP53
Isocromil SCHEMBL11566658 0.86 ALDH1A1 (0.54) KDM4EPOLBALDH1A1HPGDTP53
SCHEMBL11519681 0.82 KDM4E (0.48) KDM4EPOLBALDH1A1HPGDTP53
SCHEMBL11522725 0.81 KDM4E (0.56) KDM4EPOLBALDH1A1HPGDTP53
SCHEMBL11519766 0.81 THRB (0.47) KDM4EPOLBALDH1A1HPGDTP53
SCHEMBL11561850 0.81 ALDH1A1 (0.47) KDM4EPOLBALDH1A1HPGDTP53
SCHEMBL11518828 0.80 MEN1 (0.47) KDM4EPOLBALDH1A1HPGDTP53
SCHEMBL11518979 0.80 KDM4E (0.49) KDM4EPOLBALDH1A1HPGDTP53

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-4157334-A ANTIALLERGENS, SPASMOLYTIC CARLO ERBA S. P. A. (IT) 1979-06-05 US claimed
US-4157334-A ANTIALLERGENS, SPASMOLYTIC CARLO ERBA S. P. A. (IT) 1979-06-05 US disclosed