SCHEMBL7589224

SCHEMBL7589224

C=CCOC(=O)c1ccc(CCCl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.52
CYP3A4 P08684 1/20 0.49
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP4A11 Q02928 2/20 0.41
CYP4F2 P78329 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL10356047 0.87 SNCA (0.55) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL8850793 0.85 CYP4A11 (0.57) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL175786 0.84 SNCA (0.67) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL27559263 0.84 SNCA (0.52) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL12228311 0.81 SNCA (0.56) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL6281110 0.81 SNCA (0.56) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL513603 0.80 SNCA (0.55) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL10590383 0.80 SNCA (0.55) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL18148926 0.80 LOXL2 (0.56) SNCACYP3A4ALDH1A1TSHRHSD17B10
SCHEMBL1882104 0.80 SNCA (0.58) SNCACYP3A4ALDH1A1TSHRHSD17B10

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
EP-0912586-B1 FUNCTIONALIZED FERROCENYLDIPHOSPHINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE SYNGENTA PARTICIPATIONS AG (CH) 2002-01-16 EP disclosed
US-6169192-B1 LIGANDS FOR TRANSITION METAL COMPLEXES SUITABLE FOR ENANTIOSELECTIVE HYDROGENATION OF ORGANIC DOUBLE OR TRIPLE BONDS NOVARTIS AG (CH) 2001-01-02 US disclosed
EP-0912586-A1 FUNCTIONALIZED FERROCENYLDIPHOSPHINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE Novartis AG (CH) 1999-05-06 EP disclosed
WO-1998001457-A1 FUNCTIONALIZED FERROCENYLDIPHOSPHINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE NOVARTIS AG (CH) 1998-01-15 WO disclosed