SCHEMBL6697455

SCHEMBL6697455

O=C(CF)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PKM P14618 1/20 0.48
TP53 P04637 2/20 0.48
TSHR P16473 2/20 0.48
ELANE P08246 1/20 0.47
KMT2A Q03164 2/20 0.47
ESR1 P03372 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
NR4A2 P43354 2/20 0.46
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
SRD5A2 P31213 2/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL27446152 0.82 KMT2A (0.57) HSD17B10ELANEKMT2AESR1RECQL
SCHEMBL241908 0.81 CYP19A1 (0.52) HSD17B10PKMELANEKMT2AHTT
SCHEMBL6866158 0.80 KMT2A (0.55) HSD17B10CA1CA2PKMTP53
SCHEMBL31094480 0.80 HSD17B10 (0.52) HSD17B10CA1CA2PKMTP53
SCHEMBL6691158 0.80 HSD17B10 (0.52) HSD17B10CA1CA2PKMTP53
SCHEMBL5792985 0.80 KMT2A (0.59) HSD17B10CA1CA2PKMTP53
SCHEMBL5690655 0.80 KMT2A (0.72) HSD17B10CA1CA2PKMTP53
SCHEMBL6691150 0.80 HSD17B10 (0.52) HSD17B10CA1CA2PKMTP53
SCHEMBL6699565 0.80 HSD17B10 (0.52) HSD17B10CA1CA2PKMTP53
SCHEMBL4587308 0.80 HSD17B10 (0.52) HSD17B10CA1CA2PKMTP53

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-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
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 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