SCHEMBL16202128

SCHEMBL16202128

CC(C)[C@@H](C(=O)O)N(C)CCc1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.41
▸ SIGMAR1 Q99720 4/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.36
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP8 P22894 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ ALB P02768 2/20 0.35
▸ ADAMTS4 O75173 1/20 0.35

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
SCHEMBL16197510 0.86 KDM4E (0.56) KDM4ESIGMAR1
SCHEMBL17563432 0.86 KDM4E (0.42) KDM4ESIGMAR1HRH3
SCHEMBL16197649 0.86 KDM4E (0.56) KDM4ESIGMAR1
SCHEMBL18811761 0.86 KDM4E (0.42) KDM4ESIGMAR1HRH3
SCHEMBL27817329 0.86 SIGMAR1 (0.56) KDM4ESIGMAR1MMP2MMP9MMP8
SCHEMBL16202129 0.85 KDM4E (0.41) KDM4ESIGMAR1HRH3MMP2MMP9
SCHEMBL18522948 0.85 KDM4E (0.41) KDM4ESIGMAR1HRH3MMP2MMP9
Hydrochloric Acid SCHEMBL16197613 0.84 KDM4E (0.40) KDM4ESIGMAR1HRH3MMP2MMP9
Hydrochloric Acid SCHEMBL16197611 0.84 KDM4E (0.40) KDM4ESIGMAR1HRH3MMP2MMP9
SCHEMBL18811648 0.82 HRH3 (0.44) KDM4ESIGMAR1HRH3MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017072196-A1 COMPOSITION FOR THE TREATMENT OF IGF-1R EXPRESSING CANCER PIERRE FABRE MEDICAMENT (FR) 2017-05-04 — — WO disclosed
WO-2016173682-A1 CONJUGATE OF MONOMETHYL AURISTATIN F AND TRASTUZUMAB AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2016-11-03 — — WO disclosed
WO-2015162291-A1 IGF-1R ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2015-10-29 — — WO disclosed
WO-2014174062-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2014-10-30 — — WO disclosed
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