SCHEMBL9811897

SCHEMBL9811897

NC(=O)CCC(NC1CCCCC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.42
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALOX15 P16050 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
LMNA P02545 1/20 0.39
MMP2 P08253 4/20 0.39
MMP9 P14780 3/20 0.39
MMP8 P22894 1/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
CPB2 Q96IY4 2/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL2244922 1.00 EPHX2 (0.42) EPHX2KMT2ASMN1; SMN2ALOX15BLM
SCHEMBL2254208 1.00 EPHX2 (0.42) EPHX2KMT2ASMN1; SMN2ALOX15BLM
SCHEMBL2247731 0.98 KMT2A (0.41) EPHX2KMT2ASMN1; SMN2ALOX15BLM
SCHEMBL21167241 0.95 KMT2A (0.41) EPHX2KMT2ASMN1; SMN2ALOX15BLM
SCHEMBL4621861 0.91 KMT2A (0.44) EPHX2KMT2AALOX15BLMPMP22
SCHEMBL5323996 0.91 KMT2A (0.44) EPHX2KMT2AALOX15BLMPMP22
SCHEMBL29501687 0.86 EPHX2 (0.53) EPHX2SMN1; SMN2LMNAMMP2MMP9
SCHEMBL5313119 0.83 SMN1; SMN2 (0.36) EPHX2KMT2ASMN1; SMN2ALOX15BLM
SCHEMBL5313120 0.83 SMN1; SMN2 (0.36) EPHX2KMT2ASMN1; SMN2ALOX15BLM
SCHEMBL9811947 0.83 ALDH1A1 (0.40) EPHX2SMN1; SMN2LMNAALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0154343-B1 ADSORBENT Research Development Corporation of Japan (JP) 1991-06-19 EP disclosed
US-4785021-A OPTICAL RESOLUTION RESEARCH DEVELOPMENT CORP. OF JAPAN (JP) 1988-11-15 US disclosed
US-4747956-A CROSSLINKED POLYAMINO ACID RESEARCH DEVELOPMENT CORPORATION (JP) 1988-05-31 US disclosed
US-4694044-A Adsorbent RESEARCH DEVELOPMENT CORP. OF JAPAN (JP) 1987-09-15 US disclosed
EP-0154343-A2 Adsorbent Research Development Corporation of Japan (JP) 1985-09-11 EP disclosed