SCHEMBL7854673

SCHEMBL7854673

C=C(C(=O)N1CCOCC1)c1cc[c]c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
PHGDH O43175 4/20 0.42
HPGD P15428 2/20 0.41
AKR1C3 P42330 3/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MGLL Q99685 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL7618049 0.84 ALDH1A1 (0.41) HPGDMAPTKMT2ARAB9AALDH1A1
SCHEMBL7619039 0.83 GRM5 (0.36) HPGDMAPTKMT2ARAB9AALDH1A1
SCHEMBL7697320 0.82 ERN1 (0.36) PKMPHGDHHPGDTSHRSMN1; SMN2
SCHEMBL6918700 0.78 AKR1C3 (0.40) PKMPHGDHAKR1C3TSHRMAPT
SCHEMBL23388477 0.76 PKM (0.46) PKMPHGDHHPGDAKR1C3KDM4E
SCHEMBL5176948 0.73 PHGDH (0.57) PHGDHHPGDAKR1C3TSHRKMT2A
SCHEMBL29119937 0.72 PHGDH (0.58) PKMPHGDHHPGDAKR1C3MAPT
SCHEMBL3778711 0.69 HPGD (0.58) HPGDTSHRKDM4EKMT2AALDH1A1
SCHEMBL6920038 0.69 AKR1C3 (0.40) PKMPHGDHHPGDAKR1C3TSHR
SCHEMBL5794408 0.68 SMN1; SMN2 (0.60) TSHRKDM4EKMT2ASMN1; SMN2ALDH1A1

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
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP disclosed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 WO disclosed