SCHEMBL4624638

SCHEMBL4624638

COc1c(Cl)ccc2c3cc(C)c(OP(O)O)c(C)c3c3ccc(Cl)c(OC)c3c12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32

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
SCHEMBL4624529 0.74 KDM4E (0.34) KDM4EALDH1A1HSD17B10TAS1R3TAS1R1
SCHEMBL6705867 0.60 TUBB4A (0.38) ESR1ESR2KDM4EALDH1A1HSD17B10
SCHEMBL13160390 0.60 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10TAS1R3TAS1R1
SCHEMBL11484541 0.59 ALDH1A1 (0.48) KDM4EALDH1A1HSD17B10TAS1R3TAS1R1
SCHEMBL27960290 0.59 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10TAS1R3TAS1R1
SCHEMBL4658136 0.58 ADORA3 (0.39) KDM4EALDH1A1HSD17B10
SCHEMBL26281112 0.58 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10TAS1R3TAS1R1
SCHEMBL8384673 0.58 RAPGEF4 (0.35) KDM4EALDH1A1
SCHEMBL31081077 0.57 KDM4E (0.58) KDM4EALDH1A1HSD17B10TAS1R3TAS1R1
SCHEMBL9410517 0.57 ALDH1A1 (0.45) KDM4EALDH1A1HSD17B10TAS1R3TAS1R1

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-1394168-B1 Process for the preparation of phosphites and complexes with transition metals SALTIGO GMBH (DE) 2008-05-21 EP claimed
US-6992201-B2 Process for preparing phosphites and transition metal complexes BAYER AKTIENGESELLSCHAFT (DE) 2006-01-31 US claimed
US-20040116726-A1 Process for preparing phosphites and transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2004-06-17 US claimed
US-6992201-B2 Process for preparing phosphites and transition metal complexes BAYER AKTIENGESELLSCHAFT (DE) 2006-01-31 US disclosed
US-20040116726-A1 Process for preparing phosphites and transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2004-06-17 US disclosed