SCHEMBL6691630

SCHEMBL6691630

CCN(C(C)=O)c1cccc(C(=O)O)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 4/20 0.40
ALB P02768 1/20 0.40
GLA P06280 1/20 0.40
TP53 P04637 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
LTB4R2 Q9NPC1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABCC1 P33527 1/20 0.37
GAA P10253 1/20 0.37
PTPN1 P18031 2/20 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
SCHEMBL1803233 0.85 TSHR (0.54) TSHRALDH1A1GLATP53LTB4R2
SCHEMBL6696941 0.84 TSHR (0.50) KMT2AMEN1TSHRALDH1A1TP53
SCHEMBL7475621 0.77 TP53 (0.46) KMT2AMEN1TSHRALDH1A1GLA
SCHEMBL1807673 0.77 TSHR (0.43) TSHRALDH1A1TP53LTB4R2HPGD
SCHEMBL6691853 0.76 ALDH1A1 (0.44) KMT2AMEN1TSHRALDH1A1GLA
SCHEMBL6692681 0.76 TSHR (0.44) KMT2AMEN1TSHRALDH1A1GLA
SCHEMBL20550632 0.73 TSHR (0.42) KMT2AMEN1TSHRALDH1A1GLA
SCHEMBL5512527 0.73 ALDH1A1 (0.48) KMT2ATSHRALDH1A1GLATP53
SCHEMBL336107 0.72 ALDH1A1 (0.60) TSHRALDH1A1ALBCA12CA1
SCHEMBL1803821 0.72 TSHR (0.50) KMT2ATSHRALDH1A1TP53HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP disclosed