SCHEMBL6026682

SCHEMBL6026682

[O]C(COCc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.58
TSHR P16473 1/20 0.54
CA1 P00915 4/20 0.53
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
SLC1A1 P43005 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL21239604 0.79 TACR1 (0.61) TACR1TSHRCA1CA2CA7
SCHEMBL8703481 0.78 TACR1 (0.51) TACR1TSHRCA1CA2CA7
SCHEMBL10435907 0.78 TSHR (0.42) TACR1TSHRSMN1; SMN2
SCHEMBL16321476 0.78 TACR1 (0.70) TACR1TSHRCA1CA2CA7
SCHEMBL4988525 0.78 TACR1 (0.70) TACR1TSHRCA1CA2CA7
SCHEMBL18580091 0.78 TACR1 (0.70) TACR1TSHRCA1CA2CA7
SCHEMBL11370887 0.78 TSHR (0.56) TACR1TSHRCA1CA2CA7
SCHEMBL21848157 0.76 TSHR (0.67) TACR1TSHRCA1CA2CA7
SCHEMBL1520889 0.76 CA1 (0.59) TACR1TSHRCA1CA2CA7
SCHEMBL12519870 0.76 TACR1 (0.58) TACR1TSHRCA1CA2CA7

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-1664153-A1 MOLECULAR WEIGHT INCREASE AND MODIFICATION OF POLYCONDENSATES Ciba SC Holding AG (CH) 2006-06-07 EP disclosed
WO-2005030834-A1 MOLECULAR WEIGHT INCREASE AND MODIFICATION OF POLYCONDENSATES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-04-07 WO disclosed
US-20010009939-A1 STABILIZERS FOR POWDER COATINGS CIBA SPECIALTY CHEMICALS CORP. 2001-07-26 US disclosed
US-3992441-A ANTILIPEMIC PFIZER INC. (US) 1976-11-16 US disclosed